(4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one

C19H13F5N2O3 — CID 2320473

IUPAC(4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(C(=O)C(F)(F)F)[C@H](c2ccc(OC(F)F)cc2)N1
InChIInChI=1S/C19H13F5N2O3/c20-17(21)29-12-8-6-11(7-9-12)15-13(16(27)19(22,23)24)14(25-18(28)26-15)10-4-2-1-3-5-10/h1-9,15,17H,(H2,25,26,28)/t15-/m0/s1
InChIKeyJRCWDBYCRVMDGX-HNNXBMFYSA-N
MW412.31 g/mol
LogP4.18
Rot. Bonds5

About (4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one

(4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2320473) has the molecular formula C19H13F5N2O3 and a molecular weight of 412.31 g/mol. Its IUPAC name is (4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2320473
Molecular FormulaC19H13F5N2O3
Molecular Weight412.31 g/mol
Exact Mass412.08
IUPAC Name(4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(C(=O)C(F)(F)F)[C@H](c2ccc(OC(F)F)cc2)N1
InChIInChI=1S/C19H13F5N2O3/c20-17(21)29-12-8-6-11(7-9-12)15-13(16(27)19(22,23)24)14(25-18(28)26-15)10-4-2-1-3-5-10/h1-9,15,17H,(H2,25,26,28)/t15-/m0/s1
InChIKeyJRCWDBYCRVMDGX-HNNXBMFYSA-N
XLogP4.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-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

(4S)-5-(1,3-benzothiazol-2-yl)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135907264
ethyl (4R)-4-[4-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27088197
4-[4-(difluoromethoxy)phenyl]-5-phenyl-1,3,4,6-tetrahydropyrimido[5,4-c][1,5]benzodiazepin-2-one
CID 135400692
4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 11245094
(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7379197
methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate
CID 42612770
5-(4-chlorobenzoyl)-4-[4-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 3928414
propan-2-yl 4-[4-(3,4-dimethylphenoxy)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844941
methyl 2-oxo-6-phenyl-4-[4-(3-phenylpropoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845591
propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(4-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843831
propan-2-yl 2-oxo-6-phenyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842840
propan-2-yl 4-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845037

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 2320473) is (4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=C(C(=O)C(F)(F)F)[C@H](c2ccc(OC(F)F)cc2)N1.
What is the InChIKey of (4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is JRCWDBYCRVMDGX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H13F5N2O3/c20-17(21)29-12-8-6-11(7-9-12)15-13(16(27)19(22,23)24)14(25-18(28)26-15)10-4-2-1-3-5-10/h1-9,15,17H,(H2,25,26,28)/t15-/m0/s1.
What are the key properties of (4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one?
(4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 412.31 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2320473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).