1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone

C16H21N5O — CID 102604148

IUPAC1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cc(C)nc(C2(C)CCCN2C(=O)Cn2cccn2)n1
InChIInChI=1S/C16H21N5O/c1-12-10-13(2)19-15(18-12)16(3)6-4-9-21(16)14(22)11-20-8-5-7-17-20/h5,7-8,10H,4,6,9,11H2,1-3H3
InChIKeySVIIGCXZBIAQQP-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.83
Rot. Bonds3

About 1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone

1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 102604148) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID102604148
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cc(C)nc(C2(C)CCCN2C(=O)Cn2cccn2)n1
InChIInChI=1S/C16H21N5O/c1-12-10-13(2)19-15(18-12)16(3)6-4-9-21(16)14(22)11-20-8-5-7-17-20/h5,7-8,10H,4,6,9,11H2,1-3H3
InChIKeySVIIGCXZBIAQQP-UHFFFAOYSA-N
XLogP1.83
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 102604148) is 1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone is Cc1cc(C)nc(C2(C)CCCN2C(=O)Cn2cccn2)n1.
What is the InChIKey of 1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is SVIIGCXZBIAQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-10-13(2)19-15(18-12)16(3)6-4-9-21(16)14(22)11-20-8-5-7-17-20/h5,7-8,10H,4,6,9,11H2,1-3H3.
What are the key properties of 1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 299.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 102604148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).