3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid

C17H19N3O3 — CID 120701052

IUPAC3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCc1ncc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c(C)n1
InChIInChI=1S/C17H19N3O3/c1-11-14(9-18-12(2)20-11)15(21)19-10-17(3,16(22)23)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyPHWHDZVXETUKDO-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.87
Rot. Bonds5

About 3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid

3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701052) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701052
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCc1ncc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c(C)n1
InChIInChI=1S/C17H19N3O3/c1-11-14(9-18-12(2)20-11)15(21)19-10-17(3,16(22)23)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyPHWHDZVXETUKDO-UHFFFAOYSA-N
XLogP1.87
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120701441
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid
CID 154867048
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110858381
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
3-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701310
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701614
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
2-methyl-3-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-2-phenylpropanoic acid
CID 120701224
2-[2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526606
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid (CID 120701052) is 3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid is Cc1ncc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c(C)n1.
What is the InChIKey of 3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is PHWHDZVXETUKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-14(9-18-12(2)20-11)15(21)19-10-17(3,16(22)23)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 313.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).