4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine

C14H20N6 — CID 56872011

IUPAC4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
SMILESCN(Cc1nncn1C)c1nccc(C2CCCC2)n1
InChIInChI=1S/C14H20N6/c1-19(9-13-18-16-10-20(13)2)14-15-8-7-12(17-14)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyFFPHZINAZLOHLI-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.90
Rot. Bonds4

About 4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine

4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine (PubChem CID 56872011) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
PubChem CID56872011
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
SMILESCN(Cc1nncn1C)c1nccc(C2CCCC2)n1
InChIInChI=1S/C14H20N6/c1-19(9-13-18-16-10-20(13)2)14-15-8-7-12(17-14)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyFFPHZINAZLOHLI-UHFFFAOYSA-N
XLogP1.90
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Propan-2-yl)pyrazolo(1,5-a)pyrimidine
CID 59747998
6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56701122
4-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 56778077
4-cyclobutyl-6-methyl-2-[3-(1H-pyrazol-1-yl)azetidin-1-yl]pyrimidine
CID 56868221
1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 56872162
4-cyclobutyl-6-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}pyrimidine
CID 56873336
4-cyclopentyl-N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine
CID 56878036
5-isopropyl-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56907612
4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 56918212
4-Propyl-6-pyrazol-1-ylpyrimidine
CID 63811964
1-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrrolidin-3-amine
CID 70747932
6-cyclopropyl-N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 72916098

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine (CID 56872011) is 4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine is CN(Cc1nncn1C)c1nccc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is FFPHZINAZLOHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-19(9-13-18-16-10-20(13)2)14-15-8-7-12(17-14)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 272.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 56872011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).