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

C11H16N6O — CID 106282952

IUPAC6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NC(C)c2ncn[nH]2)nc(C)n1
InChIInChI=1S/C11H16N6O/c1-4-18-10-5-9(15-8(3)16-10)14-7(2)11-12-6-13-17-11/h5-7H,4H2,1-3H3,(H,12,13,17)(H,14,15,16)
InChIKeySOUSKWCGIBCMBP-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.47
Rot. Bonds5

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

6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 106282952) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID106282952
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NC(C)c2ncn[nH]2)nc(C)n1
InChIInChI=1S/C11H16N6O/c1-4-18-10-5-9(15-8(3)16-10)14-7(2)11-12-6-13-17-11/h5-7H,4H2,1-3H3,(H,12,13,17)(H,14,15,16)
InChIKeySOUSKWCGIBCMBP-UHFFFAOYSA-N
XLogP1.47
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168104
6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 66326077
N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66331918
6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282777
4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine
CID 106282926
6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106283004
2-tert-butyl-6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168057
6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 66325292
6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 114168059
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 66331276
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 66325658

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (CID 106282952) is 6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is CCOc1cc(NC(C)c2ncn[nH]2)nc(C)n1.
What is the InChIKey of 6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is SOUSKWCGIBCMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-4-18-10-5-9(15-8(3)16-10)14-7(2)11-12-6-13-17-11/h5-7H,4H2,1-3H3,(H,12,13,17)(H,14,15,16).
What are the key properties of 6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 248.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106282952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).