4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine

C13H17N5 — CID 133407209

IUPAC4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NC3CCCCC3)ncnc2n1
InChIInChI=1S/C13H17N5/c14-11-7-6-10-12(15-8-16-13(10)18-11)17-9-4-2-1-3-5-9/h6-9H,1-5H2,(H3,14,15,16,17,18)
InChIKeyWAFICAGCAOSLBK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.35
Rot. Bonds2

About 4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine

4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133407209) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133407209
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NC3CCCCC3)ncnc2n1
InChIInChI=1S/C13H17N5/c14-11-7-6-10-12(15-8-16-13(10)18-11)17-9-4-2-1-3-5-9/h6-9H,1-5H2,(H3,14,15,16,17,18)
InChIKeyWAFICAGCAOSLBK-UHFFFAOYSA-N
XLogP2.35
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133495393
4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 91646510
4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 154801658
N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine
CID 110432349
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133435709
4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407759
4-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407819
4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409203
6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135719
4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133439662

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine (CID 133407209) is 4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NC3CCCCC3)ncnc2n1.
What is the InChIKey of 4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is WAFICAGCAOSLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-11-7-6-10-12(15-8-16-13(10)18-11)17-9-4-2-1-3-5-9/h6-9H,1-5H2,(H3,14,15,16,17,18).
What are the key properties of 4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133407209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).