4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine

C9H12N6O — CID 70491890

IUPAC4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)c2ncn[nH]2)n1
InChIInChI=1S/C9H12N6O/c1-6-4-7(16-3)13-9(12-6)15(2)8-10-5-11-14-8/h4-5H,1-3H3,(H,10,11,14)
InChIKeyRUFHNZDJURUMPE-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.68
Rot. Bonds3

About 4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine

4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine (PubChem CID 70491890) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine
PubChem CID70491890
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)c2ncn[nH]2)n1
InChIInChI=1S/C9H12N6O/c1-6-4-7(16-3)13-9(12-6)15(2)8-10-5-11-14-8/h4-5H,1-3H3,(H,10,11,14)
InChIKeyRUFHNZDJURUMPE-UHFFFAOYSA-N
XLogP0.68
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine (CID 70491890) is 4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine is COc1cc(C)nc(N(C)c2ncn[nH]2)n1.
What is the InChIKey of 4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine?
The InChIKey is RUFHNZDJURUMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-6-4-7(16-3)13-9(12-6)15(2)8-10-5-11-14-8/h4-5H,1-3H3,(H,10,11,14).
What are the key properties of 4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine?
4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine has a molecular weight of 220.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,6-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 70491890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).