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

C10H14N6O — CID 129487663

IUPAC4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
SMILESCOc1ccnc(N(C)Cc2nncn2C)n1
InChIInChI=1S/C10H14N6O/c1-15(6-8-14-12-7-16(8)2)10-11-5-4-9(13-10)17-3/h4-5,7H,6H2,1-3H3
InChIKeyBAUZJWPYZVNRAW-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.25
Rot. Bonds4

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

4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine (PubChem CID 129487663) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
PubChem CID129487663
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
SMILESCOc1ccnc(N(C)Cc2nncn2C)n1
InChIInChI=1S/C10H14N6O/c1-15(6-8-14-12-7-16(8)2)10-11-5-4-9(13-10)17-3/h4-5,7H,6H2,1-3H3
InChIKeyBAUZJWPYZVNRAW-UHFFFAOYSA-N
XLogP0.25
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine (CID 129487663) is 4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine is COc1ccnc(N(C)Cc2nncn2C)n1.
What is the InChIKey of 4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is BAUZJWPYZVNRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-15(6-8-14-12-7-16(8)2)10-11-5-4-9(13-10)17-3/h4-5,7H,6H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 234.26 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 129487663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).