2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine

C15H23N7O — CID 29257698

IUPAC2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(N2CCC(Cn3cc(COC)nn3)CC2)n1
InChIInChI=1S/C15H23N7O/c1-16-14-3-6-17-15(18-14)21-7-4-12(5-8-21)9-22-10-13(11-23-2)19-20-22/h3,6,10,12H,4-5,7-9,11H2,1-2H3,(H,16,17,18)
InChIKeyVQBYEQVQJZBMEM-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.17
Rot. Bonds6

About 2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine

2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 29257698) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID29257698
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(N2CCC(Cn3cc(COC)nn3)CC2)n1
InChIInChI=1S/C15H23N7O/c1-16-14-3-6-17-15(18-14)21-7-4-12(5-8-21)9-22-10-13(11-23-2)19-20-22/h3,6,10,12H,4-5,7-9,11H2,1-2H3,(H,16,17,18)
InChIKeyVQBYEQVQJZBMEM-UHFFFAOYSA-N
XLogP1.17
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine (CID 29257698) is 2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine is CNc1ccnc(N2CCC(Cn3cc(COC)nn3)CC2)n1.
What is the InChIKey of 2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is VQBYEQVQJZBMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-16-14-3-6-17-15(18-14)21-7-4-12(5-8-21)9-22-10-13(11-23-2)19-20-22/h3,6,10,12H,4-5,7-9,11H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine?
2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 29257698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).