[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C15H17N5O — CID 110270782

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(C)nc(C2CCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C15H17N5O/c1-10-8-11(2)19-14(18-10)13-4-3-7-20(13)15(21)12-9-16-5-6-17-12/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyBHFHBCZQNCUXOO-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.86
Rot. Bonds2

About [2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 110270782) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID110270782
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(C)nc(C2CCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C15H17N5O/c1-10-8-11(2)19-14(18-10)13-4-3-7-20(13)15(21)12-9-16-5-6-17-12/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyBHFHBCZQNCUXOO-UHFFFAOYSA-N
XLogP1.86
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.86
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)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 110270782) is [2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is Cc1cc(C)nc(C2CCCN2C(=O)c2cnccn2)n1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is BHFHBCZQNCUXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-8-11(2)19-14(18-10)13-4-3-7-20(13)15(21)12-9-16-5-6-17-12/h5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 283.33 g/mol, XLogP of 1.86, 2 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)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 110270782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).