2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one

C14H17N5O — CID 118741437

IUPAC2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one
SMILESCc1ncc(-c2ccnc(N3CCCCC3)n2)c(=O)[nH]1
InChIInChI=1S/C14H17N5O/c1-10-16-9-11(13(20)17-10)12-5-6-15-14(18-12)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,20)
InChIKeyNZIALVDVRVSLNC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.53
Rot. Bonds2

About 2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one

2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one (PubChem CID 118741437) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one
PubChem CID118741437
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one
SMILESCc1ncc(-c2ccnc(N3CCCCC3)n2)c(=O)[nH]1
InChIInChI=1S/C14H17N5O/c1-10-16-9-11(13(20)17-10)12-5-6-15-14(18-12)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,20)
InChIKeyNZIALVDVRVSLNC-UHFFFAOYSA-N
XLogP1.53
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one (CID 118741437) is 2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one is Cc1ncc(-c2ccnc(N3CCCCC3)n2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is NZIALVDVRVSLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-16-9-11(13(20)17-10)12-5-6-15-14(18-12)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,20).
What are the key properties of 2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one?
2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 271.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 118741437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).