[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C14H15N5O — CID 110270776

IUPAC[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1ccnc(C2CCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C14H15N5O/c1-10-4-5-17-13(18-10)12-3-2-8-19(12)14(20)11-9-15-6-7-16-11/h4-7,9,12H,2-3,8H2,1H3
InChIKeyCSVXBGGXCJRPAF-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.55
Rot. Bonds2

About [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 110270776) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID110270776
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1ccnc(C2CCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C14H15N5O/c1-10-4-5-17-13(18-10)12-3-2-8-19(12)14(20)11-9-15-6-7-16-11/h4-7,9,12H,2-3,8H2,1H3
InChIKeyCSVXBGGXCJRPAF-UHFFFAOYSA-N
XLogP1.55
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 110270776) is [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is Cc1ccnc(C2CCCN2C(=O)c2cnccn2)n1.
What is the InChIKey of [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is CSVXBGGXCJRPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-4-5-17-13(18-10)12-3-2-8-19(12)14(20)11-9-15-6-7-16-11/h4-7,9,12H,2-3,8H2,1H3.
What are the key properties of [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 269.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 110270776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).