1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine

C14H21N5 — CID 83189411

IUPAC1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCCc1c(C)nn(-c2ncc(CNC)c(C)n2)c1C
InChIInChI=1S/C14H21N5/c1-6-13-10(3)18-19(11(13)4)14-16-8-12(7-15-5)9(2)17-14/h8,15H,6-7H2,1-5H3
InChIKeyFEIQONVBDKMHPD-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.87
Rot. Bonds4

About 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 83189411) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID83189411
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCCc1c(C)nn(-c2ncc(CNC)c(C)n2)c1C
InChIInChI=1S/C14H21N5/c1-6-13-10(3)18-19(11(13)4)14-16-8-12(7-15-5)9(2)17-14/h8,15H,6-7H2,1-5H3
InChIKeyFEIQONVBDKMHPD-UHFFFAOYSA-N
XLogP1.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine (CID 83189411) is 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine is CCc1c(C)nn(-c2ncc(CNC)c(C)n2)c1C.
What is the InChIKey of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is FEIQONVBDKMHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-6-13-10(3)18-19(11(13)4)14-16-8-12(7-15-5)9(2)17-14/h8,15H,6-7H2,1-5H3.
What are the key properties of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 83189411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).