3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one

C10H15N3O2 — CID 134160396

IUPAC3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one
SMILESCn1cnc(N2CCCOCC2)cc1=O
InChIInChI=1S/C10H15N3O2/c1-12-8-11-9(7-10(12)14)13-3-2-5-15-6-4-13/h7-8H,2-6H2,1H3
InChIKeyLNQGIWKLISRJCS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.01
Rot. Bonds1

About 3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one

3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one (PubChem CID 134160396) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one
PubChem CID134160396
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one
SMILESCn1cnc(N2CCCOCC2)cc1=O
InChIInChI=1S/C10H15N3O2/c1-12-8-11-9(7-10(12)14)13-3-2-5-15-6-4-13/h7-8H,2-6H2,1H3
InChIKeyLNQGIWKLISRJCS-UHFFFAOYSA-N
XLogP0.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-3-methylpyrimidin-4-one
CID 175650349
N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
CID 166601039
4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one
CID 154670161
2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one
CID 84700722
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one
CID 155531007
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32586251
3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one
CID 154769279
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
5,13-dimethyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 53368200

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one?
The IUPAC name of 3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one (CID 134160396) is 3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one is Cn1cnc(N2CCCOCC2)cc1=O.
What is the InChIKey of 3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one?
The InChIKey is LNQGIWKLISRJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-8-11-9(7-10(12)14)13-3-2-5-15-6-4-13/h7-8H,2-6H2,1H3.
What are the key properties of 3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one?
3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one is sourced from PubChem (CID 134160396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).