2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C12H12ClN5 — CID 115144720

IUPAC2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESClc1nc2c(c(Nc3ccccn3)n1)CNCC2
InChIInChI=1S/C12H12ClN5/c13-12-16-9-4-6-14-7-8(9)11(18-12)17-10-3-1-2-5-15-10/h1-3,5,14H,4,6-7H2,(H,15,16,17,18)
InChIKeyVOMKGPXAUNTYQT-UHFFFAOYSA-N
MW261.72 g/mol
LogP1.91
Rot. Bonds2

About 2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 115144720) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is 2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID115144720
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC Name2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESClc1nc2c(c(Nc3ccccn3)n1)CNCC2
InChIInChI=1S/C12H12ClN5/c13-12-16-9-4-6-14-7-8(9)11(18-12)17-10-3-1-2-5-15-10/h1-3,5,14H,4,6-7H2,(H,15,16,17,18)
InChIKeyVOMKGPXAUNTYQT-UHFFFAOYSA-N
XLogP1.91
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145251
4-[(2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]phenol
CID 117101998
2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115144745
2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101449
2-chloro-N-(3-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102232
2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 141264710
4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117102157
2-chloro-N-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101444
N-(4-bromophenyl)-2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101439
2-chloro-6,7-dimethoxy-N-pyridin-2-ylquinazolin-4-amine
CID 22692875
6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine
CID 53486868
2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 142948403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 115144720) is 2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is Clc1nc2c(c(Nc3ccccn3)n1)CNCC2.
What is the InChIKey of 2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is VOMKGPXAUNTYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5/c13-12-16-9-4-6-14-7-8(9)11(18-12)17-10-3-1-2-5-15-10/h1-3,5,14H,4,6-7H2,(H,15,16,17,18).
What are the key properties of 2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 261.72 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115144720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).