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

C10H14N6O — CID 114125987

IUPAC6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCOc1cc(NCc2ncn(C)n2)nc(C)n1
InChIInChI=1S/C10H14N6O/c1-7-13-8(4-10(14-7)17-3)11-5-9-12-6-16(2)15-9/h4,6H,5H2,1-3H3,(H,11,13,14)
InChIKeyXQUFKJYOUXOXAU-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.53
Rot. Bonds4

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

6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 114125987) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID114125987
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCOc1cc(NCc2ncn(C)n2)nc(C)n1
InChIInChI=1S/C10H14N6O/c1-7-13-8(4-10(14-7)17-3)11-5-9-12-6-16(2)15-9/h4,6H,5H2,1-3H3,(H,11,13,14)
InChIKeyXQUFKJYOUXOXAU-UHFFFAOYSA-N
XLogP0.53
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (CID 114125987) is 6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is COc1cc(NCc2ncn(C)n2)nc(C)n1.
What is the InChIKey of 6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is XQUFKJYOUXOXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-7-13-8(4-10(14-7)17-3)11-5-9-12-6-16(2)15-9/h4,6H,5H2,1-3H3,(H,11,13,14).
What are the key properties of 6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 234.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114125987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).