2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one

C14H21N3O — CID 136659624

IUPAC2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CCC(N3CCC3)CC2)n1
InChIInChI=1S/C14H21N3O/c1-10-9-13(18)16-14(15-10)11-3-5-12(6-4-11)17-7-2-8-17/h9,11-12H,2-8H2,1H3,(H,15,16,18)
InChIKeyQIDSUNLQMYQCQB-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.81
Rot. Bonds2

About 2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one

2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136659624) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136659624
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CCC(N3CCC3)CC2)n1
InChIInChI=1S/C14H21N3O/c1-10-9-13(18)16-14(15-10)11-3-5-12(6-4-11)17-7-2-8-17/h9,11-12H,2-8H2,1H3,(H,15,16,18)
InChIKeyQIDSUNLQMYQCQB-UHFFFAOYSA-N
XLogP1.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one (CID 136659624) is 2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CCC(N3CCC3)CC2)n1.
What is the InChIKey of 2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QIDSUNLQMYQCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-9-13(18)16-14(15-10)11-3-5-12(6-4-11)17-7-2-8-17/h9,11-12H,2-8H2,1H3,(H,15,16,18).
What are the key properties of 2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 247.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidin-1-yl)cyclohexyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136659624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).