5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

C11H16N6 — CID 62191323

IUPAC5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2ncn[nH]2)nc(C)c1C
InChIInChI=1S/C11H16N6/c1-4-5-12-9-7(2)8(3)15-11(16-9)10-13-6-14-17-10/h6H,4-5H2,1-3H3,(H,12,15,16)(H,13,14,17)
InChIKeyZHHBNHXCOCPMDO-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.70
Rot. Bonds4

About 5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (PubChem CID 62191323) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
PubChem CID62191323
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2ncn[nH]2)nc(C)c1C
InChIInChI=1S/C11H16N6/c1-4-5-12-9-7(2)8(3)15-11(16-9)10-13-6-14-17-10/h6H,4-5H2,1-3H3,(H,12,15,16)(H,13,14,17)
InChIKeyZHHBNHXCOCPMDO-UHFFFAOYSA-N
XLogP1.70
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (CID 62191323) is 5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is CCCNc1nc(-c2ncn[nH]2)nc(C)c1C.
What is the InChIKey of 5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The InChIKey is ZHHBNHXCOCPMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-4-5-12-9-7(2)8(3)15-11(16-9)10-13-6-14-17-10/h6H,4-5H2,1-3H3,(H,12,15,16)(H,13,14,17).
What are the key properties of 5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 62191323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).