4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide

C12H17N5O — CID 166794212

IUPAC4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide
SMILESCCC1N=C(c2cn[nH]c2)N(C)C(C)=C1C(N)=O
InChIInChI=1S/C12H17N5O/c1-4-9-10(11(13)18)7(2)17(3)12(16-9)8-5-14-15-6-8/h5-6,9H,4H2,1-3H3,(H2,13,18)(H,14,15)
InChIKeyJVNHXVDWCOSHCA-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.64
Rot. Bonds3

About 4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide

4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide (PubChem CID 166794212) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide
PubChem CID166794212
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide
SMILESCCC1N=C(c2cn[nH]c2)N(C)C(C)=C1C(N)=O
InChIInChI=1S/C12H17N5O/c1-4-9-10(11(13)18)7(2)17(3)12(16-9)8-5-14-15-6-8/h5-6,9H,4H2,1-3H3,(H2,13,18)(H,14,15)
InChIKeyJVNHXVDWCOSHCA-UHFFFAOYSA-N
XLogP0.64
TPSA87.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide?
The IUPAC name of 4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide (CID 166794212) is 4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide is CCC1N=C(c2cn[nH]c2)N(C)C(C)=C1C(N)=O.
What is the InChIKey of 4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide?
The InChIKey is JVNHXVDWCOSHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-9-10(11(13)18)7(2)17(3)12(16-9)8-5-14-15-6-8/h5-6,9H,4H2,1-3H3,(H2,13,18)(H,14,15).
What are the key properties of 4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide?
4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide is sourced from PubChem (CID 166794212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).