4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine

C14H23N5 — CID 115264162

IUPAC4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine
SMILESc1nc(NCCC2CCCC2)cc(NC2CNC2)n1
InChIInChI=1S/C14H23N5/c1-2-4-11(3-1)5-6-16-13-7-14(18-10-17-13)19-12-8-15-9-12/h7,10-12,15H,1-6,8-9H2,(H2,16,17,18,19)
InChIKeyHRVHUYFDFOKHOJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.85
Rot. Bonds6

About 4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine

4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine (PubChem CID 115264162) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine
PubChem CID115264162
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine
SMILESc1nc(NCCC2CCCC2)cc(NC2CNC2)n1
InChIInChI=1S/C14H23N5/c1-2-4-11(3-1)5-6-16-13-7-14(18-10-17-13)19-12-8-15-9-12/h7,10-12,15H,1-6,8-9H2,(H2,16,17,18,19)
InChIKeyHRVHUYFDFOKHOJ-UHFFFAOYSA-N
XLogP1.85
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 67157079
2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264917
4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
CID 115263965
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
CID 115143093
4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80841357
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
2-[[6-[(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264399

Frequently Asked Questions

What is the IUPAC name of 4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine (CID 115264162) is 4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine is c1nc(NCCC2CCCC2)cc(NC2CNC2)n1.
What is the InChIKey of 4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine?
The InChIKey is HRVHUYFDFOKHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-4-11(3-1)5-6-16-13-7-14(18-10-17-13)19-12-8-15-9-12/h7,10-12,15H,1-6,8-9H2,(H2,16,17,18,19).
What are the key properties of 4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine?
4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115264162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).