[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone

C18H23N7O — CID 121090342

IUPAC[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(N2CCN(C(=O)c3cnccn3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C18H23N7O/c1-14-12-16(22-18(21-14)25-6-2-3-7-25)23-8-10-24(11-9-23)17(26)15-13-19-4-5-20-15/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyDIKJYACQYFWVPZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.14
Rot. Bonds3

About [4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone

[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 121090342) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is [4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
PubChem CID121090342
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(N2CCN(C(=O)c3cnccn3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C18H23N7O/c1-14-12-16(22-18(21-14)25-6-2-3-7-25)23-8-10-24(11-9-23)17(26)15-13-19-4-5-20-15/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyDIKJYACQYFWVPZ-UHFFFAOYSA-N
XLogP1.14
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone (CID 121090342) is [4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone is Cc1cc(N2CCN(C(=O)c3cnccn3)CC2)nc(N2CCCC2)n1.
What is the InChIKey of [4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is DIKJYACQYFWVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-14-12-16(22-18(21-14)25-6-2-3-7-25)23-8-10-24(11-9-23)17(26)15-13-19-4-5-20-15/h4-5,12-13H,2-3,6-11H2,1H3.
What are the key properties of [4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 353.43 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 121090342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).