3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide

C24H29FN4O2 — CID 130357190

IUPAC3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide
SMILESCCC1(CC)CC(=O)N(Cc2cc(F)cc(C(=O)N[C@@H](C)c3ccccc3)c2)C(N)=N1
InChIInChI=1S/C24H29FN4O2/c1-4-24(5-2)14-21(30)29(23(26)28-24)15-17-11-19(13-20(25)12-17)22(31)27-16(3)18-9-7-6-8-10-18/h6-13,16H,4-5,14-15H2,1-3H3,(H2,26,28)(H,27,31)/t16-/m0/s1
InChIKeyFCMSRGHFVUZNAA-INIZCTEOSA-N
MW424.52 g/mol
LogP3.92
Rot. Bonds7

About 3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide

3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 130357190) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide
PubChem CID130357190
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide
SMILESCCC1(CC)CC(=O)N(Cc2cc(F)cc(C(=O)N[C@@H](C)c3ccccc3)c2)C(N)=N1
InChIInChI=1S/C24H29FN4O2/c1-4-24(5-2)14-21(30)29(23(26)28-24)15-17-11-19(13-20(25)12-17)22(31)27-16(3)18-9-7-6-8-10-18/h6-13,16H,4-5,14-15H2,1-3H3,(H2,26,28)(H,27,31)/t16-/m0/s1
InChIKeyFCMSRGHFVUZNAA-INIZCTEOSA-N
XLogP3.92
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-{[(4s)-2-Amino-4-Methyl-6-Oxo-4-(Propan-2-Yl)-5,6-Dihydropyrimidin-1(4h)-Yl]methyl}-5-Fluoro-N-[(1s)-1-Phenylethyl]benzamide
CID 60149247
N-Benzyl-3-{[(2z,4s)-2-Imino-4-Methyl-6-Oxo-4-(Propan-2-Yl)tetrahydropyrimidin-1(2h)-Yl]methyl}benzamide
CID 71738909
3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide
CID 163201233
3-[(R)-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-phenylmethyl]-N-[(1S)-1-phenylethyl]benzamide
CID 168279128
3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(1S)-1-phenylethyl]benzamide
CID 168284145
N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-3-methylbenzamide
CID 2446878
N-(4-diethylamino-1-methyl-butyl)-N''-[3-fluoro-2-(2-naphthalen-1-yl-ethyl)-benzoyl]-guanidine
CID 10050686
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide
CID 59262483
3-[[(4S)-2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl]methyl]-N-[(1S)-1-phenylethyl]benzamide
CID 71738394
3-[[(4S)-2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl]-phenylmethyl]-N-[(1S)-1-phenylethyl]benzamide
CID 71738468
3-[[(4S)-2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 71738908
3-[(2-amino-4-oxo-1,3-diazaspiro[5.5]undec-1-en-3-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 130357224

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide (CID 130357190) is 3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide is CCC1(CC)CC(=O)N(Cc2cc(F)cc(C(=O)N[C@@H](C)c3ccccc3)c2)C(N)=N1.
What is the InChIKey of 3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is FCMSRGHFVUZNAA-INIZCTEOSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-4-24(5-2)14-21(30)29(23(26)28-24)15-17-11-19(13-20(25)12-17)22(31)27-16(3)18-9-7-6-8-10-18/h6-13,16H,4-5,14-15H2,1-3H3,(H2,26,28)(H,27,31)/t16-/m0/s1.
What are the key properties of 3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide?
3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 424.52 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 130357190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).