6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine

C14H13ClFN5 — CID 155161057

IUPAC6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine
SMILESCCCc1c(F)c2cnc(Cl)nc2n1-c1cccc(N)n1
InChIInChI=1S/C14H13ClFN5/c1-2-4-9-12(16)8-7-18-14(15)20-13(8)21(9)11-6-3-5-10(17)19-11/h3,5-7H,2,4H2,1H3,(H2,17,19)
InChIKeyYDIPGALIFZVUML-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.14
Rot. Bonds3

About 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine

6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine (PubChem CID 155161057) has the molecular formula C14H13ClFN5 and a molecular weight of 305.74 g/mol. Its IUPAC name is 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine
PubChem CID155161057
Molecular FormulaC14H13ClFN5
Molecular Weight305.74 g/mol
Exact Mass305.08
IUPAC Name6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine
SMILESCCCc1c(F)c2cnc(Cl)nc2n1-c1cccc(N)n1
InChIInChI=1S/C14H13ClFN5/c1-2-4-9-12(16)8-7-18-14(15)20-13(8)21(9)11-6-3-5-10(17)19-11/h3,5-7H,2,4H2,1H3,(H2,17,19)
InChIKeyYDIPGALIFZVUML-UHFFFAOYSA-N
XLogP3.14
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 1
CID 49971
Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
Rolodine
CID 5359646
Amprolium ion
CID 2178
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 126537450
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135283800
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine?
The IUPAC name of 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine (CID 155161057) is 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine.
What is the SMILES notation for 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine?
The canonical SMILES for 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine is CCCc1c(F)c2cnc(Cl)nc2n1-c1cccc(N)n1.
What is the InChIKey of 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine?
The InChIKey is YDIPGALIFZVUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN5/c1-2-4-9-12(16)8-7-18-14(15)20-13(8)21(9)11-6-3-5-10(17)19-11/h3,5-7H,2,4H2,1H3,(H2,17,19).
What are the key properties of 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine?
6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine has a molecular weight of 305.74 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine is sourced from PubChem (CID 155161057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).