3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide

C19H24N6O2 — CID 24768433

IUPAC3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-11-16(20-18(26)8-9-24(4)5)21-19(22-17)15-7-6-14(3)27-15/h6-7,10-11H,8-9H2,1-5H3,(H,20,21,22,26)
InChIKeyAACWUFIIMOHGSO-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.74
Rot. Bonds6

About 3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide

3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide (PubChem CID 24768433) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide
PubChem CID24768433
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-11-16(20-18(26)8-9-24(4)5)21-19(22-17)15-7-6-14(3)27-15/h6-7,10-11H,8-9H2,1-5H3,(H,20,21,22,26)
InChIKeyAACWUFIIMOHGSO-UHFFFAOYSA-N
XLogP2.74
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide (CID 24768433) is 3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide is Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)n1.
What is the InChIKey of 3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide?
The InChIKey is AACWUFIIMOHGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-11-16(20-18(26)8-9-24(4)5)21-19(22-17)15-7-6-14(3)27-15/h6-7,10-11H,8-9H2,1-5H3,(H,20,21,22,26).
What are the key properties of 3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide?
3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide has a molecular weight of 368.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide is sourced from PubChem (CID 24768433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).