3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine

C53H41ClF6N22O4 — CID 159149146

IUPAC3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine
SMILESC[C@H](N)c1ncc(F)cn1.C[C@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1N)c1ccc(F)cn1.C[C@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ccc(F)cn1.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl
InChIInChI=1S/C18H13F2N7O2.C18H15F2N7.C11H5ClFN5O2.C6H8FN3/c1-10(13-4-2-11(19)6-21-13)24-18-15(27(28)29)8-23-17(25-18)14-7-22-16-5-3-12(20)9-26(14)16;1-10(14-4-2-11(19)6-22-14)25-17-13(21)7-24-18(26-17)15-8-23-16-5-3-12(20)9-27(15)16;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;1-4(8)6-9-2-5(7)3-10-6/h2-10H,1H3,(H,23,24,25);2-10H,21H2,1H3,(H,24,25,26);1-5H;2-4H,8H2,1H3/t2*10-;;4-/m00.0/s1
InChIKeyKJBDHIKJLHQNJC-NWWYADTHSA-N
MW1199.50 g/mol
LogP9.89
Rot. Bonds12

About 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine

3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine (PubChem CID 159149146) has the molecular formula C53H41ClF6N22O4 and a molecular weight of 1199.50 g/mol. Its IUPAC name is 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine
PubChem CID159149146
Molecular FormulaC53H41ClF6N22O4
Molecular Weight1199.50 g/mol
Exact Mass1198.33
IUPAC Name3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine
SMILESC[C@H](N)c1ncc(F)cn1.C[C@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1N)c1ccc(F)cn1.C[C@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ccc(F)cn1.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl
InChIInChI=1S/C18H13F2N7O2.C18H15F2N7.C11H5ClFN5O2.C6H8FN3/c1-10(13-4-2-11(19)6-21-13)24-18-15(27(28)29)8-23-17(25-18)14-7-22-16-5-3-12(20)9-26(14)16;1-10(14-4-2-11(19)6-22-14)25-17-13(21)7-24-18(26-17)15-8-23-16-5-3-12(20)9-27(15)16;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;1-4(8)6-9-2-5(7)3-10-6/h2-10H,1H3,(H,23,24,25);2-10H,21H2,1H3,(H,24,25,26);1-5H;2-4H,8H2,1H3/t2*10-;;4-/m00.0/s1
InChIKeyKJBDHIKJLHQNJC-NWWYADTHSA-N
XLogP9.89
TPSA343.18 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001199.50
LogP ≤ 59.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 67123771
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine
CID 67123963
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine
CID 67123966
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine
CID 67124017
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine
CID 67124019
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine
CID 67124026
2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-N-((5-fluoropyridin-2-yl)methyl)-5-nitropyrimidin-4-amine
CID 67262085
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine
CID 70650245
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 77889552
(R)-2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(piperidin-3-yl)pyrimidin-4-amine
CID 86692672
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine
CID 89486065
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-piperidin-3-ylpyrimidin-4-amine
CID 89755180

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine?
The IUPAC name of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine (CID 159149146) is 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine.
What is the SMILES notation for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine?
The canonical SMILES for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine is C[C@H](N)c1ncc(F)cn1.C[C@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1N)c1ccc(F)cn1.C[C@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ccc(F)cn1.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.
What is the InChIKey of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine?
The InChIKey is KJBDHIKJLHQNJC-NWWYADTHSA-N. The full InChI is InChI=1S/C18H13F2N7O2.C18H15F2N7.C11H5ClFN5O2.C6H8FN3/c1-10(13-4-2-11(19)6-21-13)24-18-15(27(28)29)8-23-17(25-18)14-7-22-16-5-3-12(20)9-26(14)16;1-10(14-4-2-11(19)6-22-14)25-17-13(21)7-24-18(26-17)15-8-23-16-5-3-12(20)9-27(15)16;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;1-4(8)6-9-2-5(7)3-10-6/h2-10H,1H3,(H,23,24,25);2-10H,21H2,1H3,(H,24,25,26);1-5H;2-4H,8H2,1H3/t2*10-;;4-/m00.0/s1.
What are the key properties of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine?
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine has a molecular weight of 1199.50 g/mol, XLogP of 9.89, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine is sourced from PubChem (CID 159149146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).