6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine

C12H18N6 — CID 114783648

IUPAC6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(NC2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C12H18N6/c1-2-13-12-17-10-9(14-7-15-10)11(18-12)16-8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H3,13,14,15,16,17,18)
InChIKeyMHHWTMRTHAGASJ-UHFFFAOYSA-N
MW246.32 g/mol
LogP2.14
Rot. Bonds4

About 6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine

6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine (PubChem CID 114783648) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
PubChem CID114783648
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(NC2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C12H18N6/c1-2-13-12-17-10-9(14-7-15-10)11(18-12)16-8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H3,13,14,15,16,17,18)
InChIKeyMHHWTMRTHAGASJ-UHFFFAOYSA-N
XLogP2.14
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
CID 141001606
6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784239
6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114785499
2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine
CID 114784778
3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol
CID 114785530
2-N-ethyl-6-N-[(1-methylpiperidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784776
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclopentyl]methanol
CID 114784996
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol
CID 114785004

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine (CID 114783648) is 6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine is CCNc1nc(NC2CCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine?
The InChIKey is MHHWTMRTHAGASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-13-12-17-10-9(14-7-15-10)11(18-12)16-8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H3,13,14,15,16,17,18).
What are the key properties of 6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine?
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114783648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).