5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine

C20H16Cl2N6 — CID 24944522

IUPAC5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nc(N)ncc1Cl)c1cc2cccc(Cl)c2nc1-c1ccccn1
InChIInChI=1S/C20H16Cl2N6/c1-11(26-19-15(22)10-25-20(23)28-19)13-9-12-5-4-6-14(21)17(12)27-18(13)16-7-2-3-8-24-16/h2-11H,1H3,(H3,23,25,26,28)/t11-/m0/s1
InChIKeyBIRVZWFKLATGSX-NSHDSACASA-N
MW411.30 g/mol
LogP5.15
Rot. Bonds4

About 5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine

5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 24944522) has the molecular formula C20H16Cl2N6 and a molecular weight of 411.30 g/mol. Its IUPAC name is 5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID24944522
Molecular FormulaC20H16Cl2N6
Molecular Weight411.30 g/mol
Exact Mass410.08
IUPAC Name5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nc(N)ncc1Cl)c1cc2cccc(Cl)c2nc1-c1ccccn1
InChIInChI=1S/C20H16Cl2N6/c1-11(26-19-15(22)10-25-20(23)28-19)13-9-12-5-4-6-14(21)17(12)27-18(13)16-7-2-3-8-24-16/h2-11H,1H3,(H3,23,25,26,28)/t11-/m0/s1
InChIKeyBIRVZWFKLATGSX-NSHDSACASA-N
XLogP5.15
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine (CID 24944522) is 5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine is C[C@H](Nc1nc(N)ncc1Cl)c1cc2cccc(Cl)c2nc1-c1ccccn1.
What is the InChIKey of 5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is BIRVZWFKLATGSX-NSHDSACASA-N. The full InChI is InChI=1S/C20H16Cl2N6/c1-11(26-19-15(22)10-25-20(23)28-19)13-9-12-5-4-6-14(21)17(12)27-18(13)16-7-2-3-8-24-16/h2-11H,1H3,(H3,23,25,26,28)/t11-/m0/s1.
What are the key properties of 5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine?
5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 411.30 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(1S)-1-(8-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 24944522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).