(5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

C26H27FN4O — CID 145460309

IUPAC(5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)[C@H](C2C=CC(C3CC3)=CC2)[C@@](C)(c2ccnc(-c3ccccc3F)c2)N=C1N
InChIInChI=1S/C26H27FN4O/c1-26(19-13-14-29-22(15-19)20-5-3-4-6-21(20)27)23(24(32)31(2)25(28)30-26)18-11-9-17(10-12-18)16-7-8-16/h3-6,9-11,13-16,18,23H,7-8,12H2,1-2H3,(H2,28,30)/t18?,23-,26+/m0/s1
InChIKeyOTEKEHDYWQIOIK-ONFYXREYSA-N
MW430.53 g/mol
LogP4.42
Rot. Bonds4

About (5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

(5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 145460309) has the molecular formula C26H27FN4O and a molecular weight of 430.53 g/mol. Its IUPAC name is (5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID145460309
Molecular FormulaC26H27FN4O
Molecular Weight430.53 g/mol
Exact Mass430.22
IUPAC Name(5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)[C@H](C2C=CC(C3CC3)=CC2)[C@@](C)(c2ccnc(-c3ccccc3F)c2)N=C1N
InChIInChI=1S/C26H27FN4O/c1-26(19-13-14-29-22(15-19)20-5-3-4-6-21(20)27)23(24(32)31(2)25(28)30-26)18-11-9-17(10-12-18)16-7-8-16/h3-6,9-11,13-16,18,23H,7-8,12H2,1-2H3,(H2,28,30)/t18?,23-,26+/m0/s1
InChIKeyOTEKEHDYWQIOIK-ONFYXREYSA-N
XLogP4.42
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-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

(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
CID 46830239
(2e,5r)-5-Cyclopropyl-2-Imino-3-Methyl-5-{3-[5-(Prop-1-Yn-1-Yl)pyridin-3-Yl]phenyl}imidazolidin-4-One
CID 57404339
(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One
CID 70685236
(4R)-4-(3,4-Difluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid [3-(3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-yl)-propyl]-amide
CID 10576280
(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
CID 11185491
N-[1-[(Z)-[(cyanoamino)-[(2-methyl-3-pyridinyl)amino]methylidene]amino]-2,2-dimethylpropyl]-2-(4-fluorophenyl)acetamide
CID 11269479
2-Amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11359820
2-Pyridineacetamide, N-[(3-fluorophenyl)methyl]-5-phenyl-
CID 11537047
2-Amino-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 11544998
2-Amino-5-cyclopropyl-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 11609507
2-Amino-5-(2',5'-difluoro-1,1'-biphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
CID 11990754
rac-2-amino-1-methyl-4-(2-methylpyridin-4-yl)-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 15950595

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 145460309) is (5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)[C@H](C2C=CC(C3CC3)=CC2)[C@@](C)(c2ccnc(-c3ccccc3F)c2)N=C1N.
What is the InChIKey of (5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is OTEKEHDYWQIOIK-ONFYXREYSA-N. The full InChI is InChI=1S/C26H27FN4O/c1-26(19-13-14-29-22(15-19)20-5-3-4-6-21(20)27)23(24(32)31(2)25(28)30-26)18-11-9-17(10-12-18)16-7-8-16/h3-6,9-11,13-16,18,23H,7-8,12H2,1-2H3,(H2,28,30)/t18?,23-,26+/m0/s1.
What are the key properties of (5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
(5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 430.53 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-2-amino-5-(4-cyclopropylcyclohexa-2,4-dien-1-yl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 145460309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).