6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine

C14H22N6 — CID 80857697

IUPAC6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(-n2nc(C)nc2C)c1CCC
InChIInChI=1S/C14H22N6/c1-5-7-12-13(15-8-6-2)16-9-17-14(12)20-11(4)18-10(3)19-20/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyUNIICMJWNQZIRH-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.45
Rot. Bonds6

About 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine

6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine (PubChem CID 80857697) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine
PubChem CID80857697
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(-n2nc(C)nc2C)c1CCC
InChIInChI=1S/C14H22N6/c1-5-7-12-13(15-8-6-2)16-9-17-14(12)20-11(4)18-10(3)19-20/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyUNIICMJWNQZIRH-UHFFFAOYSA-N
XLogP2.45
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine (CID 80857697) is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(-n2nc(C)nc2C)c1CCC.
What is the InChIKey of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine?
The InChIKey is UNIICMJWNQZIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-5-7-12-13(15-8-6-2)16-9-17-14(12)20-11(4)18-10(3)19-20/h9H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine?
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80857697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).