2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine

C11H10ClFN4 — CID 160913484

IUPAC2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
SMILESF[C@@H]1C[C@H]1C1=CC(Nc2ccnc(Cl)n2)=NC1
InChIInChI=1S/C11H10ClFN4/c12-11-14-2-1-9(17-11)16-10-3-6(5-15-10)7-4-8(7)13/h1-3,7-8H,4-5H2,(H,14,15,16,17)/t7-,8+/m0/s1
InChIKeyHWHLJKFSAXBUON-JGVFFNPUSA-N
MW252.68 g/mol
LogP2.24
Rot. Bonds2

About 2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine

2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine (PubChem CID 160913484) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
PubChem CID160913484
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
SMILESF[C@@H]1C[C@H]1C1=CC(Nc2ccnc(Cl)n2)=NC1
InChIInChI=1S/C11H10ClFN4/c12-11-14-2-1-9(17-11)16-10-3-6(5-15-10)7-4-8(7)13/h1-3,7-8H,4-5H2,(H,14,15,16,17)/t7-,8+/m0/s1
InChIKeyHWHLJKFSAXBUON-JGVFFNPUSA-N
XLogP2.24
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine
CID 158423707
2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62814283
2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 140802487
1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760540
2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine
CID 130556405
2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 60727037
N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine
CID 130701603
2-chloro-N-thiophen-3-ylpyrimidin-4-amine
CID 66354192
2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 59828373
2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 62344065
2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane
CID 154687421
2-chloro-N-naphthalen-1-ylpyrimidin-4-amine
CID 55065329

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine (CID 160913484) is 2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine is F[C@@H]1C[C@H]1C1=CC(Nc2ccnc(Cl)n2)=NC1.
What is the InChIKey of 2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine?
The InChIKey is HWHLJKFSAXBUON-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H10ClFN4/c12-11-14-2-1-9(17-11)16-10-3-6(5-15-10)7-4-8(7)13/h1-3,7-8H,4-5H2,(H,14,15,16,17)/t7-,8+/m0/s1.
What are the key properties of 2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine?
2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine has a molecular weight of 252.68 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 160913484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).