(6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

C17H17FN4O — CID 145461983

IUPAC(6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cncc(-c3ccccc3F)c2)N=C1N
InChIInChI=1S/C17H17FN4O/c1-17(8-15(23)22(2)16(19)21-17)12-7-11(9-20-10-12)13-5-3-4-6-14(13)18/h3-7,9-10H,8H2,1-2H3,(H2,19,21)/t17-/m0/s1
InChIKeyBOLZOFWPMMIYRN-KRWDZBQOSA-N
MW312.35 g/mol
LogP2.28
Rot. Bonds2

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

(6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 145461983) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is (6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID145461983
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name(6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cncc(-c3ccccc3F)c2)N=C1N
InChIInChI=1S/C17H17FN4O/c1-17(8-15(23)22(2)16(19)21-17)12-7-11(9-20-10-12)13-5-3-4-6-14(13)18/h3-7,9-10H,8H2,1-2H3,(H2,19,21)/t17-/m0/s1
InChIKeyBOLZOFWPMMIYRN-KRWDZBQOSA-N
XLogP2.28
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
CID 117706875
(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One
CID 70685236
1-Ethyl-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoropyridin-3-yl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-3-methylpyridin-2(1H)-one
CID 10341402
(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
CID 11185491
2-Amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11359820
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
2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one
CID 15950666

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 145461983) is (6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2cncc(-c3ccccc3F)c2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is BOLZOFWPMMIYRN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-17(8-15(23)22(2)16(19)21-17)12-7-11(9-20-10-12)13-5-3-4-6-14(13)18/h3-7,9-10H,8H2,1-2H3,(H2,19,21)/t17-/m0/s1.
What are the key properties of (6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 312.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[5-(2-fluorophenyl)-3-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 145461983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).