4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine

C15H23N7O — CID 29001075

IUPAC4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCOCc1cn(CC2CCN(c3cc(C)nc(N)n3)CC2)nn1
InChIInChI=1S/C15H23N7O/c1-11-7-14(18-15(16)17-11)21-5-3-12(4-6-21)8-22-9-13(10-23-2)19-20-22/h7,9,12H,3-6,8,10H2,1-2H3,(H2,16,17,18)
InChIKeyZAKKUHFYYBDVAV-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.02
Rot. Bonds5

About 4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine

4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 29001075) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID29001075
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCOCc1cn(CC2CCN(c3cc(C)nc(N)n3)CC2)nn1
InChIInChI=1S/C15H23N7O/c1-11-7-14(18-15(16)17-11)21-5-3-12(4-6-21)8-22-9-13(10-23-2)19-20-22/h7,9,12H,3-6,8,10H2,1-2H3,(H2,16,17,18)
InChIKeyZAKKUHFYYBDVAV-UHFFFAOYSA-N
XLogP1.02
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine (CID 29001075) is 4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine is COCc1cn(CC2CCN(c3cc(C)nc(N)n3)CC2)nn1.
What is the InChIKey of 4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is ZAKKUHFYYBDVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-11-7-14(18-15(16)17-11)21-5-3-12(4-6-21)8-22-9-13(10-23-2)19-20-22/h7,9,12H,3-6,8,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 317.40 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 29001075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).