5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C19H15Cl2N5OS — CID 89427132

IUPAC5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(c2nc(-c3ccc(N)cc3)cs2)C(c2ccc(Cl)nc2Cl)NC(=O)N1
InChIInChI=1S/C19H15Cl2N5OS/c1-9-15(18-24-13(8-28-18)10-2-4-11(22)5-3-10)16(26-19(27)23-9)12-6-7-14(20)25-17(12)21/h2-8,16H,22H2,1H3,(H2,23,26,27)
InChIKeyVDDWAYSWTRZOEP-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.88
Rot. Bonds3

About 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 89427132) has the molecular formula C19H15Cl2N5OS and a molecular weight of 432.34 g/mol. Its IUPAC name is 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID89427132
Molecular FormulaC19H15Cl2N5OS
Molecular Weight432.34 g/mol
Exact Mass431.04
IUPAC Name5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(c2nc(-c3ccc(N)cc3)cs2)C(c2ccc(Cl)nc2Cl)NC(=O)N1
InChIInChI=1S/C19H15Cl2N5OS/c1-9-15(18-24-13(8-28-18)10-2-4-11(22)5-3-10)16(26-19(27)23-9)12-6-7-14(20)25-17(12)21/h2-8,16H,22H2,1H3,(H2,23,26,27)
InChIKeyVDDWAYSWTRZOEP-UHFFFAOYSA-N
XLogP4.88
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-pyridin-4-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 89427113
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 89427200
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-(4-phenoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 89427160
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 89427141
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 147135860
4-[2-(6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile
CID 71506623
6-methyl-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 147171421
4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 71292605
4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile
CID 71506815
6-methyl-5-[4-[4-(methylamino)phenyl]-1,3-thiazol-2-yl]-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 162565891
4-[2-[4-(3,4-dihydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile
CID 71505727
4-[2-[4-(1-benzothiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile
CID 71506813

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 89427132) is 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(c2nc(-c3ccc(N)cc3)cs2)C(c2ccc(Cl)nc2Cl)NC(=O)N1.
What is the InChIKey of 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is VDDWAYSWTRZOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5OS/c1-9-15(18-24-13(8-28-18)10-2-4-11(22)5-3-10)16(26-19(27)23-9)12-6-7-14(20)25-17(12)21/h2-8,16H,22H2,1H3,(H2,23,26,27).
What are the key properties of 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 432.34 g/mol, XLogP of 4.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 89427132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).