3-(cyclohexylmethyl)-7H-purin-6-imine

C12H17N5 — CID 135435073

IUPAC3-(cyclohexylmethyl)-7H-purin-6-imine
SMILES[H]/N=c1\ncn(CC2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C12H17N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h7-9,13H,1-6H2,(H,14,15)/b13-11-
InChIKeyWBMWRESAHLEECX-QBFSEMIESA-N
MW231.30 g/mol
LogP1.82
Rot. Bonds2

About 3-(cyclohexylmethyl)-7H-purin-6-imine

3-(cyclohexylmethyl)-7H-purin-6-imine (PubChem CID 135435073) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-7H-purin-6-imine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-7H-purin-6-imine
PubChem CID135435073
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(cyclohexylmethyl)-7H-purin-6-imine
SMILES[H]/N=c1\ncn(CC2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C12H17N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h7-9,13H,1-6H2,(H,14,15)/b13-11-
InChIKeyWBMWRESAHLEECX-QBFSEMIESA-N
XLogP1.82
TPSA70.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylmethyl)-N-ethyl-7H-purin-6-imine
CID 135592801
2-[9-(6-imino-7H-purin-3-yl)nonanoyl]cyclohexan-1-one
CID 137176205
3-[(2-methylphenyl)methyl]-7H-purin-6-imine
CID 135435061
3-bromo-7H-purin-6-imine
CID 136992972
trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol
CID 136679568
3-(quinolin-2-ylmethyl)-7H-purin-6-imine
CID 138740765
3-(cyclohexylmethyl)-1-methyl-7H-purine-2,6-dione
CID 3076822
3,7-bis(cyclohexylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
CID 138739496
1H-benzo[f]indol-2-yl-[(1R)-5-hydroxy-1-[(6-imino-7H-purin-3-yl)methyl]-1,2-dihydrobenzo[e]indol-3-yl]methanone
CID 135512577
(5-ethoxy-1H-indol-2-yl)-[(1R)-5-hydroxy-1-[(6-imino-7H-purin-3-yl)methyl]-1,2-dihydrobenzo[e]indol-3-yl]methanone
CID 135476598
1,3-bis(2-cyclohexylethyl)-7H-purine-2,6-dione
CID 141056104
(5aS,7S)-7-[1-(6-imino-7H-purin-3-yl)propan-2-yl]-3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
CID 135451386

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-7H-purin-6-imine?
The IUPAC name of 3-(cyclohexylmethyl)-7H-purin-6-imine (CID 135435073) is 3-(cyclohexylmethyl)-7H-purin-6-imine.
What is the SMILES notation for 3-(cyclohexylmethyl)-7H-purin-6-imine?
The canonical SMILES for 3-(cyclohexylmethyl)-7H-purin-6-imine is [H]/N=c1\ncn(CC2CCCCC2)c2nc[nH]c12.
What is the InChIKey of 3-(cyclohexylmethyl)-7H-purin-6-imine?
The InChIKey is WBMWRESAHLEECX-QBFSEMIESA-N. The full InChI is InChI=1S/C12H17N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h7-9,13H,1-6H2,(H,14,15)/b13-11-.
What are the key properties of 3-(cyclohexylmethyl)-7H-purin-6-imine?
3-(cyclohexylmethyl)-7H-purin-6-imine has a molecular weight of 231.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-7H-purin-6-imine is sourced from PubChem (CID 135435073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).