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

C12H18N6 — CID 50956110

IUPAC5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1NC(C)c1nncn1C
InChIInChI=1S/C12H18N6/c1-5-10-6-13-9(3)16-11(10)15-8(2)12-17-14-7-18(12)4/h6-8H,5H2,1-4H3,(H,13,15,16)
InChIKeyPZRTVEAPBSLEFY-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.65
Rot. Bonds4

About 5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine

5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 50956110) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID50956110
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1NC(C)c1nncn1C
InChIInChI=1S/C12H18N6/c1-5-10-6-13-9(3)16-11(10)15-8(2)12-17-14-7-18(12)4/h6-8H,5H2,1-4H3,(H,13,15,16)
InChIKeyPZRTVEAPBSLEFY-UHFFFAOYSA-N
XLogP1.65
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (CID 50956110) is 5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is CCc1cnc(C)nc1NC(C)c1nncn1C.
What is the InChIKey of 5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is PZRTVEAPBSLEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-5-10-6-13-9(3)16-11(10)15-8(2)12-17-14-7-18(12)4/h6-8H,5H2,1-4H3,(H,13,15,16).
What are the key properties of 5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 246.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50956110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).