9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine

C18H26N6 — CID 134214623

IUPAC9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine
SMILESCC1CCC(n2cnc3c(N)nc(C4=CCN(C)CC4)nc32)CC1
InChIInChI=1S/C18H26N6/c1-12-3-5-14(6-4-12)24-11-20-15-16(19)21-17(22-18(15)24)13-7-9-23(2)10-8-13/h7,11-12,14H,3-6,8-10H2,1-2H3,(H2,19,21,22)
InChIKeyLGJWKCKMIRVRGG-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.88
Rot. Bonds2

About 9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine

9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine (PubChem CID 134214623) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine.

Molecular Properties

Compound Name9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine
PubChem CID134214623
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine
SMILESCC1CCC(n2cnc3c(N)nc(C4=CCN(C)CC4)nc32)CC1
InChIInChI=1S/C18H26N6/c1-12-3-5-14(6-4-12)24-11-20-15-16(19)21-17(22-18(15)24)13-7-9-23(2)10-8-13/h7,11-12,14H,3-6,8-10H2,1-2H3,(H2,19,21,22)
InChIKeyLGJWKCKMIRVRGG-UHFFFAOYSA-N
XLogP2.88
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine?
The IUPAC name of 9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine (CID 134214623) is 9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine.
What is the SMILES notation for 9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine?
The canonical SMILES for 9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine is CC1CCC(n2cnc3c(N)nc(C4=CCN(C)CC4)nc32)CC1.
What is the InChIKey of 9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine?
The InChIKey is LGJWKCKMIRVRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-12-3-5-14(6-4-12)24-11-20-15-16(19)21-17(22-18(15)24)13-7-9-23(2)10-8-13/h7,11-12,14H,3-6,8-10H2,1-2H3,(H2,19,21,22).
What are the key properties of 9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine?
9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine has a molecular weight of 326.45 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylcyclohexyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)purin-6-amine is sourced from PubChem (CID 134214623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).