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

C15H22N6 — CID 56878036

IUPAC4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine
SMILESCCn1cnnc1CN(C)c1nccc(C2CCCC2)n1
InChIInChI=1S/C15H22N6/c1-3-21-11-17-19-14(21)10-20(2)15-16-9-8-13(18-15)12-6-4-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyNFIYQANGKXFTLX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds5

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

4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine (PubChem CID 56878036) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine
PubChem CID56878036
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine
SMILESCCn1cnnc1CN(C)c1nccc(C2CCCC2)n1
InChIInChI=1S/C15H22N6/c1-3-21-11-17-19-14(21)10-20(2)15-16-9-8-13(18-15)12-6-4-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyNFIYQANGKXFTLX-UHFFFAOYSA-N
XLogP2.38
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine (CID 56878036) is 4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine is CCn1cnnc1CN(C)c1nccc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is NFIYQANGKXFTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-3-21-11-17-19-14(21)10-20(2)15-16-9-8-13(18-15)12-6-4-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of 4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine?
4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 56878036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).