[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone

C15H17N5O — CID 110250264

IUPAC[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESCc1nccc(C2CCCN(C(=O)c3cncnc3)C2)n1
InChIInChI=1S/C15H17N5O/c1-11-18-5-4-14(19-11)12-3-2-6-20(9-12)15(21)13-7-16-10-17-8-13/h4-5,7-8,10,12H,2-3,6,9H2,1H3
InChIKeyKGENZQHIOCBOCB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.59
Rot. Bonds2

About [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone

[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 110250264) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID110250264
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESCc1nccc(C2CCCN(C(=O)c3cncnc3)C2)n1
InChIInChI=1S/C15H17N5O/c1-11-18-5-4-14(19-11)12-3-2-6-20(9-12)15(21)13-7-16-10-17-8-13/h4-5,7-8,10,12H,2-3,6,9H2,1H3
InChIKeyKGENZQHIOCBOCB-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone (CID 110250264) is [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone is Cc1nccc(C2CCCN(C(=O)c3cncnc3)C2)n1.
What is the InChIKey of [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is KGENZQHIOCBOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-18-5-4-14(19-11)12-3-2-6-20(9-12)15(21)13-7-16-10-17-8-13/h4-5,7-8,10,12H,2-3,6,9H2,1H3.
What are the key properties of [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 283.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 110250264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).