6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine

C14H22N6 — CID 114785405

IUPAC6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(NC2(C)CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C14H22N6/c1-3-8-15-13-18-11-10(16-9-17-11)12(19-13)20-14(2)6-4-5-7-14/h9H,3-8H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeySHZRIQDQONISIN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.92
Rot. Bonds5

About 6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine

6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine (PubChem CID 114785405) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine
PubChem CID114785405
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(NC2(C)CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C14H22N6/c1-3-8-15-13-18-11-10(16-9-17-11)12(19-13)20-14(2)6-4-5-7-14/h9H,3-8H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeySHZRIQDQONISIN-UHFFFAOYSA-N
XLogP2.92
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
6-N-[(2-methylthiolan-2-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785722
[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclopentyl]methanol
CID 114784996
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol
CID 114785004
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
2-methyl-2-[[2-(propylamino)-7H-purin-6-yl]amino]propane-1,3-diol
CID 114785802
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol
CID 114785530
3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol
CID 114785534
2-N-propyl-6-N-(thian-4-ylmethyl)-7H-purine-2,6-diamine
CID 114786418

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine (CID 114785405) is 6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine is CCCNc1nc(NC2(C)CCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine?
The InChIKey is SHZRIQDQONISIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-3-8-15-13-18-11-10(16-9-17-11)12(19-13)20-14(2)6-4-5-7-14/h9H,3-8H2,1-2H3,(H3,15,16,17,18,19,20).
What are the key properties of 6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine?
6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114785405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).