1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine

C17H27N7 — CID 72842762

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
SMILESCCCn1cnnc1CNC1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C17H27N7/c1-4-7-24-12-19-22-16(24)11-18-15-5-8-23(9-6-15)17-20-13(2)10-14(3)21-17/h10,12,15,18H,4-9,11H2,1-3H3
InChIKeyBIISDAJNOOPAPY-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.85
Rot. Bonds6

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine

1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine (PubChem CID 72842762) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
PubChem CID72842762
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
SMILESCCCn1cnnc1CNC1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C17H27N7/c1-4-7-24-12-19-22-16(24)11-18-15-5-8-23(9-6-15)17-20-13(2)10-14(3)21-17/h10,12,15,18H,4-9,11H2,1-3H3
InChIKeyBIISDAJNOOPAPY-UHFFFAOYSA-N
XLogP1.85
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine (CID 72842762) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine is CCCn1cnnc1CNC1CCN(c2nc(C)cc(C)n2)CC1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is BIISDAJNOOPAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-4-7-24-12-19-22-16(24)11-18-15-5-8-23(9-6-15)17-20-13(2)10-14(3)21-17/h10,12,15,18H,4-9,11H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 72842762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).