N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine

C13H19N5 — CID 103753762

IUPACN-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine
SMILESCC1(CNc2ncnc3nc[nH]c23)CCCCC1
InChIInChI=1S/C13H19N5/c1-13(5-3-2-4-6-13)7-14-11-10-12(16-8-15-10)18-9-17-11/h8-9H,2-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyMKXRBYZPGCKRGL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.74
Rot. Bonds3

About N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine

N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine (PubChem CID 103753762) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine
PubChem CID103753762
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine
SMILESCC1(CNc2ncnc3nc[nH]c23)CCCCC1
InChIInChI=1S/C13H19N5/c1-13(5-3-2-4-6-13)7-14-11-10-12(16-8-15-10)18-9-17-11/h8-9H,2-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyMKXRBYZPGCKRGL-UHFFFAOYSA-N
XLogP2.74
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine
CID 133491700
[1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol
CID 113294054
N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine
CID 107269112
N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine
CID 171674081
1-(7H-purin-6-ylamino)cyclohexane-1-carboxylic acid
CID 61290655
(7H-purin-6-ylamino)methanol
CID 86209273
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-cycloheptyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 78990142
6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 80846461
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63831983
N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
CID 61223491

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine (CID 103753762) is N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine is CC1(CNc2ncnc3nc[nH]c23)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine?
The InChIKey is MKXRBYZPGCKRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-13(5-3-2-4-6-13)7-14-11-10-12(16-8-15-10)18-9-17-11/h8-9H,2-7H2,1H3,(H2,14,15,16,17,18).
What are the key properties of N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine?
N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine has a molecular weight of 245.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 103753762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).