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

C13H18N6 — CID 72931262

IUPAC6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCn1ncnc1C(C)Nc1cc(C2CC2)ncn1
InChIInChI=1S/C13H18N6/c1-3-19-13(16-8-17-19)9(2)18-12-6-11(10-4-5-10)14-7-15-12/h6-10H,3-5H2,1-2H3,(H,14,15,18)
InChIKeyVXBMMAMZDAKOQL-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.14
Rot. Bonds5

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

6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 72931262) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID72931262
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCn1ncnc1C(C)Nc1cc(C2CC2)ncn1
InChIInChI=1S/C13H18N6/c1-3-19-13(16-8-17-19)9(2)18-12-6-11(10-4-5-10)14-7-15-12/h6-10H,3-5H2,1-2H3,(H,14,15,18)
InChIKeyVXBMMAMZDAKOQL-UHFFFAOYSA-N
XLogP2.14
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (CID 72931262) is 6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is CCn1ncnc1C(C)Nc1cc(C2CC2)ncn1.
What is the InChIKey of 6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is VXBMMAMZDAKOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-3-19-13(16-8-17-19)9(2)18-12-6-11(10-4-5-10)14-7-15-12/h6-10H,3-5H2,1-2H3,(H,14,15,18).
What are the key properties of 6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 258.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 72931262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).