2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid

C17H20N4O3 — CID 90650027

IUPAC2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid
SMILESCc1cccc(C(NC(=O)c2cc(C(C)C)nc(N)n2)C(=O)O)c1
InChIInChI=1S/C17H20N4O3/c1-9(2)12-8-13(20-17(18)19-12)15(22)21-14(16(23)24)11-6-4-5-10(3)7-11/h4-9,14H,1-3H3,(H,21,22)(H,23,24)(H2,18,19,20)
InChIKeyBIHGFAISQMDDPZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.05
Rot. Bonds5

About 2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid

2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid (PubChem CID 90650027) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid
PubChem CID90650027
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid
SMILESCc1cccc(C(NC(=O)c2cc(C(C)C)nc(N)n2)C(=O)O)c1
InChIInChI=1S/C17H20N4O3/c1-9(2)12-8-13(20-17(18)19-12)15(22)21-14(16(23)24)11-6-4-5-10(3)7-11/h4-9,14H,1-3H3,(H,21,22)(H,23,24)(H2,18,19,20)
InChIKeyBIHGFAISQMDDPZ-UHFFFAOYSA-N
XLogP2.05
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99992429
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide
CID 81360225
methyl (2S)-2-[(2,6-dihydroxybenzoyl)amino]-2-(3-methylphenyl)acetate
CID 95552550
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid
CID 62787046
methyl 2-[(2,6-dihydroxybenzoyl)amino]-2-(3-methylphenyl)acetate
CID 56872619
methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate
CID 56864377
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
(2S)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonylamino)-2-(3-methylphenyl)acetic acid
CID 126439697
2-(3-methylphenyl)-2-(prop-2-ynylamino)acetic acid
CID 62352736
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid?
The IUPAC name of 2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid (CID 90650027) is 2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid.
What is the SMILES notation for 2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid?
The canonical SMILES for 2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid is Cc1cccc(C(NC(=O)c2cc(C(C)C)nc(N)n2)C(=O)O)c1.
What is the InChIKey of 2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid?
The InChIKey is BIHGFAISQMDDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-9(2)12-8-13(20-17(18)19-12)15(22)21-14(16(23)24)11-6-4-5-10(3)7-11/h4-9,14H,1-3H3,(H,21,22)(H,23,24)(H2,18,19,20).
What are the key properties of 2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid?
2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid has a molecular weight of 328.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid is sourced from PubChem (CID 90650027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).