4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

C13H14ClN5 — CID 117102157

IUPAC4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3ccc(Cl)cc3)n1)CNCC2
InChIInChI=1S/C13H14ClN5/c14-8-1-3-9(4-2-8)17-12-10-7-16-6-5-11(10)18-13(15)19-12/h1-4,16H,5-7H2,(H3,15,17,18,19)
InChIKeyVWOVQXGOLXKJFD-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.10
Rot. Bonds2

About 4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 117102157) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID117102157
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3ccc(Cl)cc3)n1)CNCC2
InChIInChI=1S/C13H14ClN5/c14-8-1-3-9(4-2-8)17-12-10-7-16-6-5-11(10)18-13(15)19-12/h1-4,16H,5-7H2,(H3,15,17,18,19)
InChIKeyVWOVQXGOLXKJFD-UHFFFAOYSA-N
XLogP2.10
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 117101960
4-[(2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]phenol
CID 117101998
4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145015
4-(4-chloroanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
CID 117102112
N-(4-chlorophenyl)-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101803
N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101502
2-methoxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102045
4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 134116460
3-N-(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)benzene-1,3-diamine
CID 135150949
2-N-(4-bromophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101061
2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 142948403
5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 80761203

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (CID 117102157) is 4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is Nc1nc2c(c(Nc3ccc(Cl)cc3)n1)CNCC2.
What is the InChIKey of 4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is VWOVQXGOLXKJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c14-8-1-3-9(4-2-8)17-12-10-7-16-6-5-11(10)18-13(15)19-12/h1-4,16H,5-7H2,(H3,15,17,18,19).
What are the key properties of 4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 275.74 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 117102157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).