5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one

C12H12Cl2N4O2S — CID 137317117

IUPAC5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESC[C@@H]1COCCN1c1nc(-c2scnc2Cl)[nH]c(=O)c1Cl
InChIInChI=1S/C12H12Cl2N4O2S/c1-6-4-20-3-2-18(6)11-7(13)12(19)17-10(16-11)8-9(14)15-5-21-8/h5-6H,2-4H2,1H3,(H,16,17,19)/t6-/m1/s1
InChIKeyZYHOVDPQDMSQJO-ZCFIWIBFSA-N
MW347.23 g/mol
LogP2.43
Rot. Bonds2

About 5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one

5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 137317117) has the molecular formula C12H12Cl2N4O2S and a molecular weight of 347.23 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID137317117
Molecular FormulaC12H12Cl2N4O2S
Molecular Weight347.23 g/mol
Exact Mass346.01
IUPAC Name5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESC[C@@H]1COCCN1c1nc(-c2scnc2Cl)[nH]c(=O)c1Cl
InChIInChI=1S/C12H12Cl2N4O2S/c1-6-4-20-3-2-18(6)11-7(13)12(19)17-10(16-11)8-9(14)15-5-21-8/h5-6H,2-4H2,1H3,(H,16,17,19)/t6-/m1/s1
InChIKeyZYHOVDPQDMSQJO-ZCFIWIBFSA-N
XLogP2.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine
CID 43808294
(3R)-4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 164581492
4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 72570064
5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
CID 80782226
4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylmorpholine
CID 79727473
6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 55185257
4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine
CID 62102340
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505
(3S)-4-(2-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829517
2-chloro-7,7-dimethyl-4-(3-methylmorpholin-4-yl)furo[3,4-d]pyrimidin-5-one
CID 75985549
4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one
CID 121448447
4-(4-chlorophthalazin-1-yl)-3-methylmorpholine
CID 62141543

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one (CID 137317117) is 5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one is C[C@@H]1COCCN1c1nc(-c2scnc2Cl)[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is ZYHOVDPQDMSQJO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2S/c1-6-4-20-3-2-18(6)11-7(13)12(19)17-10(16-11)8-9(14)15-5-21-8/h5-6H,2-4H2,1H3,(H,16,17,19)/t6-/m1/s1.
What are the key properties of 5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 347.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chloro-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137317117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).