2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine

C20H31N7 — CID 10067698

IUPAC2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine
SMILESNC1CCC(Nc2nc(NCC3CC3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C20H31N7/c21-14-7-9-15(10-8-14)24-20-25-18(22-11-13-5-6-13)17-19(26-20)27(12-23-17)16-3-1-2-4-16/h12-16H,1-11,21H2,(H2,22,24,25,26)
InChIKeyFGLRSCIZYHXTBC-UHFFFAOYSA-N
MW369.52 g/mol
LogP3.45
Rot. Bonds6

About 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine

2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine (PubChem CID 10067698) has the molecular formula C20H31N7 and a molecular weight of 369.52 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine
PubChem CID10067698
Molecular FormulaC20H31N7
Molecular Weight369.52 g/mol
Exact Mass369.26
IUPAC Name2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine
SMILESNC1CCC(Nc2nc(NCC3CC3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C20H31N7/c21-14-7-9-15(10-8-14)24-20-25-18(22-11-13-5-6-13)17-19(26-20)27(12-23-17)16-3-1-2-4-16/h12-16H,1-11,21H2,(H2,22,24,25,26)
InChIKeyFGLRSCIZYHXTBC-UHFFFAOYSA-N
XLogP3.45
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine?
The IUPAC name of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine (CID 10067698) is 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine is NC1CCC(Nc2nc(NCC3CC3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine?
The InChIKey is FGLRSCIZYHXTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7/c21-14-7-9-15(10-8-14)24-20-25-18(22-11-13-5-6-13)17-19(26-20)27(12-23-17)16-3-1-2-4-16/h12-16H,1-11,21H2,(H2,22,24,25,26).
What are the key properties of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine?
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine has a molecular weight of 369.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)purine-2,6-diamine is sourced from PubChem (CID 10067698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).