9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine

C19H25N7 — CID 117079255

IUPAC9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine
SMILESCCCNc1nc(Nc2ccncc2)nc2c1ncn2C1CCCCC1
InChIInChI=1S/C19H25N7/c1-2-10-21-17-16-18(26(13-22-16)15-6-4-3-5-7-15)25-19(24-17)23-14-8-11-20-12-9-14/h8-9,11-13,15H,2-7,10H2,1H3,(H2,20,21,23,24,25)
InChIKeySARCSPAPSVZUDW-UHFFFAOYSA-N
MW351.46 g/mol
LogP4.29
Rot. Bonds6

About 9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine

9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine (PubChem CID 117079255) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine.

Molecular Properties

Compound Name9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine
PubChem CID117079255
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine
SMILESCCCNc1nc(Nc2ccncc2)nc2c1ncn2C1CCCCC1
InChIInChI=1S/C19H25N7/c1-2-10-21-17-16-18(26(13-22-16)15-6-4-3-5-7-15)25-19(24-17)23-14-8-11-20-12-9-14/h8-9,11-13,15H,2-7,10H2,1H3,(H2,20,21,23,24,25)
InChIKeySARCSPAPSVZUDW-UHFFFAOYSA-N
XLogP4.29
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

9-cyclohexyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117091730
9-cyclohexyl-6-N-propyl-2-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117088087
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117085764
9-cyclohexyl-6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117081345
2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine
CID 117091774
1-[3-[[9-cyclohexyl-2-(pyrimidin-4-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117082553
9-cyclohexyl-2-N-(4-imidazol-1-ylphenyl)-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117089131
6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117093752
1-[3-[[9-cyclohexyl-2-(pyrazin-2-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117085284
9-cyclohexyl-2-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]purine-2,6-diamine
CID 117079829
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-hexylpurine-2,6-diamine;dihydrochloride
CID 18473399
9-cyclohexyl-2-N-(1-methylbenzimidazol-2-yl)-6-N-(2-phenoxyethyl)purine-2,6-diamine
CID 117087399

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine?
The IUPAC name of 9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine (CID 117079255) is 9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine.
What is the SMILES notation for 9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine?
The canonical SMILES for 9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine is CCCNc1nc(Nc2ccncc2)nc2c1ncn2C1CCCCC1.
What is the InChIKey of 9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine?
The InChIKey is SARCSPAPSVZUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-2-10-21-17-16-18(26(13-22-16)15-6-4-3-5-7-15)25-19(24-17)23-14-8-11-20-12-9-14/h8-9,11-13,15H,2-7,10H2,1H3,(H2,20,21,23,24,25).
What are the key properties of 9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine?
9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine has a molecular weight of 351.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine is sourced from PubChem (CID 117079255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).