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

C12H18N6O — CID 126821803

IUPAC2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCCCn2cncn2)n1
InChIInChI=1S/C12H18N6O/c1-10-6-11(17-12(16-10)7-19-2)14-4-3-5-18-9-13-8-15-18/h6,8-9H,3-5,7H2,1-2H3,(H,14,16,17)
InChIKeyORQGWXULPKUNHI-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.03
Rot. Bonds7

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

2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine (PubChem CID 126821803) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
PubChem CID126821803
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCCCn2cncn2)n1
InChIInChI=1S/C12H18N6O/c1-10-6-11(17-12(16-10)7-19-2)14-4-3-5-18-9-13-8-15-18/h6,8-9H,3-5,7H2,1-2H3,(H,14,16,17)
InChIKeyORQGWXULPKUNHI-UHFFFAOYSA-N
XLogP1.03
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine (CID 126821803) is 2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine is COCc1nc(C)cc(NCCCn2cncn2)n1.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
The InChIKey is ORQGWXULPKUNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-10-6-11(17-12(16-10)7-19-2)14-4-3-5-18-9-13-8-15-18/h6,8-9H,3-5,7H2,1-2H3,(H,14,16,17).
What are the key properties of 2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine has a molecular weight of 262.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 126821803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).