6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

C24H27FN4O3 — CID 78833901

IUPAC6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN(C)C(c2ccccc2)c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H27FN4O3/c1-15(2)13-29-22(26)20(23(31)27-24(29)32)19(30)14-28(3)21(16-7-5-4-6-8-16)17-9-11-18(25)12-10-17/h4-12,15,21H,13-14,26H2,1-3H3,(H,27,31,32)
InChIKeyPMBZQYMJGTZSJI-UHFFFAOYSA-N
MW438.50 g/mol
LogP2.82
Rot. Bonds8

About 6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 78833901) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID78833901
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN(C)C(c2ccccc2)c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H27FN4O3/c1-15(2)13-29-22(26)20(23(31)27-24(29)32)19(30)14-28(3)21(16-7-5-4-6-8-16)17-9-11-18(25)12-10-17/h4-12,15,21H,13-14,26H2,1-3H3,(H,27,31,32)
InChIKeyPMBZQYMJGTZSJI-UHFFFAOYSA-N
XLogP2.82
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione 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

6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 95042652
6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione
CID 94458615
6-amino-1-(2-methylpropyl)-5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 42456538
6-amino-5-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 36609416
6-amino-5-[2-(2,4-dimethylphenyl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42150829
6-amino-5-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42370683
N-[4-[2-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 42154347
6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 51284663
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-benzhydryl-methylazanium
CID 8017078
6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione
CID 24569772
6-amino-5-[2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 24565518
6-amino-5-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 36634549

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 78833901) is 6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CN(C)C(c2ccccc2)c2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is PMBZQYMJGTZSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-15(2)13-29-22(26)20(23(31)27-24(29)32)19(30)14-28(3)21(16-7-5-4-6-8-16)17-9-11-18(25)12-10-17/h4-12,15,21H,13-14,26H2,1-3H3,(H,27,31,32).
What are the key properties of 6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 438.50 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 78833901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).