4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine

C13H19N5O — CID 103007614

IUPAC4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCc2ccnn2C)n1
InChIInChI=1S/C13H19N5O/c1-4-19-12-9-10(2)16-13(17-12)14-7-5-11-6-8-15-18(11)3/h6,8-9H,4-5,7H2,1-3H3,(H,14,16,17)
InChIKeyWENMZCLJJPFGSJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.57
Rot. Bonds6

About 4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine

4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 103007614) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID103007614
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCc2ccnn2C)n1
InChIInChI=1S/C13H19N5O/c1-4-19-12-9-10(2)16-13(17-12)14-7-5-11-6-8-15-18(11)3/h6,8-9H,4-5,7H2,1-3H3,(H,14,16,17)
InChIKeyWENMZCLJJPFGSJ-UHFFFAOYSA-N
XLogP1.57
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 51105077
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 51105138
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 53539832
4-isopropoxy-6-(1-isopropyl-1H-pyrazol-5-yl)pyrimidin-2-amine
CID 121512373
4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine
CID 164638283
4-[(1-Ethyl-5-fluoropyrazol-4-yl)methyl]-6-methoxy-2-piperazin-1-ylpyrimidine
CID 177664240
4-Methoxy-6-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 144427462
5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propylpyrimidin-2-amine
CID 81342441
5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
CID 81342635
N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
CID 81342638
4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine
CID 81345942
4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine
CID 81345946

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine (CID 103007614) is 4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine is CCOc1cc(C)nc(NCCc2ccnn2C)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is WENMZCLJJPFGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-19-12-9-10(2)16-13(17-12)14-7-5-11-6-8-15-18(11)3/h6,8-9H,4-5,7H2,1-3H3,(H,14,16,17).
What are the key properties of 4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine?
4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 103007614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).