3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one

C21H21N5O3 — CID 142238593

IUPAC3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCOC(c3ccccc3CN=O)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C21H21N5O3/c1-25-20(27)12-18(15-6-8-22-9-7-15)24-21(25)26-10-11-29-19(14-26)17-5-3-2-4-16(17)13-23-28/h2-9,12,19H,10-11,13-14H2,1H3
InChIKeyGQDMRZHBVBBBGU-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.69
Rot. Bonds5

About 3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one

3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 142238593) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID142238593
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCOC(c3ccccc3CN=O)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C21H21N5O3/c1-25-20(27)12-18(15-6-8-22-9-7-15)24-21(25)26-10-11-29-19(14-26)17-5-3-2-4-16(17)13-23-28/h2-9,12,19H,10-11,13-14H2,1H3
InChIKeyGQDMRZHBVBBBGU-UHFFFAOYSA-N
XLogP2.69
TPSA89.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride
CID 162307517
2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794037
2-[2-[4-(3-hydroxyazetidin-1-yl)phenyl]morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11640345
2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10156508
3-methyl-6-pyridin-4-yl-2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 10224712
3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 59794151
3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59794202
3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59794055
3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59793989
3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one
CID 155812528
4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide
CID 59793903
1-[4-[4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]-3-pyridin-3-ylthiourea
CID 76594500

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one (CID 142238593) is 3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one is Cn1c(N2CCOC(c3ccccc3CN=O)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is GQDMRZHBVBBBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-25-20(27)12-18(15-6-8-22-9-7-15)24-21(25)26-10-11-29-19(14-26)17-5-3-2-4-16(17)13-23-28/h2-9,12,19H,10-11,13-14H2,1H3.
What are the key properties of 3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 391.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 142238593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).