[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone

C18H25N5O — CID 118740144

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCCC2(C)c2nc(C)cc(C)n2)cn1
InChIInChI=1S/C18H25N5O/c1-5-8-22-12-15(11-19-22)16(24)23-9-6-7-18(23,4)17-20-13(2)10-14(3)21-17/h10-12H,5-9H2,1-4H3
InChIKeyJWXKJYZSUFTXAL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.85
Rot. Bonds4

About [2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone

[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone (PubChem CID 118740144) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone
PubChem CID118740144
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCCC2(C)c2nc(C)cc(C)n2)cn1
InChIInChI=1S/C18H25N5O/c1-5-8-22-12-15(11-19-22)16(24)23-9-6-7-18(23,4)17-20-13(2)10-14(3)21-17/h10-12H,5-9H2,1-4H3
InChIKeyJWXKJYZSUFTXAL-UHFFFAOYSA-N
XLogP2.85
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone (CID 118740144) is [2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)N2CCCC2(C)c2nc(C)cc(C)n2)cn1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone?
The InChIKey is JWXKJYZSUFTXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-5-8-22-12-15(11-19-22)16(24)23-9-6-7-18(23,4)17-20-13(2)10-14(3)21-17/h10-12H,5-9H2,1-4H3.
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 118740144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).