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

C11H16N6O2 — CID 115355225

IUPAC4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCc2ncn(C)n2)n1
InChIInChI=1S/C11H16N6O2/c1-17-7-13-8(16-17)4-5-12-11-14-9(18-2)6-10(15-11)19-3/h6-7H,4-5H2,1-3H3,(H,12,14,15)
InChIKeyMHMULDOLGADVNN-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.28
Rot. Bonds6

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

4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 115355225) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID115355225
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCc2ncn(C)n2)n1
InChIInChI=1S/C11H16N6O2/c1-17-7-13-8(16-17)4-5-12-11-14-9(18-2)6-10(15-11)19-3/h6-7H,4-5H2,1-3H3,(H,12,14,15)
InChIKeyMHMULDOLGADVNN-UHFFFAOYSA-N
XLogP0.28
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (CID 115355225) is 4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is COc1cc(OC)nc(NCCc2ncn(C)n2)n1.
What is the InChIKey of 4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is MHMULDOLGADVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-17-7-13-8(16-17)4-5-12-11-14-9(18-2)6-10(15-11)19-3/h6-7H,4-5H2,1-3H3,(H,12,14,15).
What are the key properties of 4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 264.29 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 115355225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).