6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine

C10H14N6O — CID 114168104

IUPAC6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ncn[nH]2)nc(C)n1
InChIInChI=1S/C10H14N6O/c1-6(10-11-5-12-16-10)13-8-4-9(17-3)15-7(2)14-8/h4-6H,1-3H3,(H,11,12,16)(H,13,14,15)
InChIKeyMWBZAPHQPGTBAI-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.08
Rot. Bonds4

About 6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine

6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 114168104) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID114168104
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ncn[nH]2)nc(C)n1
InChIInChI=1S/C10H14N6O/c1-6(10-11-5-12-16-10)13-8-4-9(17-3)15-7(2)14-8/h4-6H,1-3H3,(H,11,12,16)(H,13,14,15)
InChIKeyMWBZAPHQPGTBAI-UHFFFAOYSA-N
XLogP1.08
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (CID 114168104) is 6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is COc1cc(NC(C)c2ncn[nH]2)nc(C)n1.
What is the InChIKey of 6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is MWBZAPHQPGTBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-6(10-11-5-12-16-10)13-8-4-9(17-3)15-7(2)14-8/h4-6H,1-3H3,(H,11,12,16)(H,13,14,15).
What are the key properties of 6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 234.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 114168104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).