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

C12H18N6 — CID 63560813

IUPAC6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2ncn[nH]2)nc(CC)c1C
InChIInChI=1S/C12H18N6/c1-4-6-13-10-8(3)9(5-2)16-12(17-10)11-14-7-15-18-11/h7H,4-6H2,1-3H3,(H,13,16,17)(H,14,15,18)
InChIKeyLVFFYJAIHNWEOI-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.95
Rot. Bonds5

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

6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (PubChem CID 63560813) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
PubChem CID63560813
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2ncn[nH]2)nc(CC)c1C
InChIInChI=1S/C12H18N6/c1-4-6-13-10-8(3)9(5-2)16-12(17-10)11-14-7-15-18-11/h7H,4-6H2,1-3H3,(H,13,16,17)(H,14,15,18)
InChIKeyLVFFYJAIHNWEOI-UHFFFAOYSA-N
XLogP1.95
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-5-methyl-2-(4-methylphenyl)-N-propylpyrimidin-4-amine
CID 63561195
5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 66300350
6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 115990752
6-ethyl-5-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 104806725
6-ethyl-2-(3-ethylimidazol-4-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 66132810
6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 63354762
6-ethyl-5-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 63560066
5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66299847
6-ethyl-N,5-dimethyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 63561722
N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 63561391
4-(bromomethyl)-5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine
CID 130494174
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (CID 63560813) is 6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is CCCNc1nc(-c2ncn[nH]2)nc(CC)c1C.
What is the InChIKey of 6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The InChIKey is LVFFYJAIHNWEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-6-13-10-8(3)9(5-2)16-12(17-10)11-14-7-15-18-11/h7H,4-6H2,1-3H3,(H,13,16,17)(H,14,15,18).
What are the key properties of 6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine has a molecular weight of 246.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 63560813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).