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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Related Compounds

4-[6-amino-9-(4-methylcyclohexyl)purin-2-yl]-2-methylbut-3-yn-2-ol
CID 134214744
2-(1-benzothiophen-3-yl)-9-cyclohexylpurin-6-amine
CID 117089555
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
4-(6-amino-2-ethynylpurin-9-yl)cyclohexane-1-carboxylic acid
CID 134214774
(2R,3R,4S,5R)-2-[6-amino-2-(4-methylcyclohexyl)oxypurin-9-yl]-5-methyloxolane-3,4-diol
CID 56670160
4-(6-amino-2-pyridin-4-ylpurin-9-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 134214734
7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 155723183
9-(thiolan-3-yl)purine-2,6-diamine;dihydrochloride
CID 141031134
3-[6-amino-9-[4-[(3-methoxyphenyl)carbamoyl]cyclohexyl]purin-2-yl]benzamide
CID 134214697
5-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazole
CID 23047489
4-[6-amino-2-(2-methoxy-4-pyridinyl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214617
6-amino-9-cyclopentyl-1H-purin-2-one
CID 145422864

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).