2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid

C20H23N3O5 — CID 143725571

IUPAC2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid
SMILESCc1ccc(-n2c(C3CCCCC3)nc(O)c(C(=O)NCC(=O)O)c2=O)cc1
InChIInChI=1S/C20H23N3O5/c1-12-7-9-14(10-8-12)23-17(13-5-3-2-4-6-13)22-19(27)16(20(23)28)18(26)21-11-15(24)25/h7-10,13,27H,2-6,11H2,1H3,(H,21,26)(H,24,25)
InChIKeyHUWCPTRBZYPOGM-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.11
Rot. Bonds5

About 2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid

2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 143725571) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID143725571
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid
SMILESCc1ccc(-n2c(C3CCCCC3)nc(O)c(C(=O)NCC(=O)O)c2=O)cc1
InChIInChI=1S/C20H23N3O5/c1-12-7-9-14(10-8-12)23-17(13-5-3-2-4-6-13)22-19(27)16(20(23)28)18(26)21-11-15(24)25/h7-10,13,27H,2-6,11H2,1H3,(H,21,26)(H,24,25)
InChIKeyHUWCPTRBZYPOGM-UHFFFAOYSA-N
XLogP2.11
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-{6-Benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-3-YL}-N-(4-ethylphenyl)acetamide
CID 53143434
2-{6-Benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-3-YL}-N-(4-methylphenyl)acetamide
CID 53143435
N-{[2-Cyclohexyl-1-(4-fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydro-5-pyrimidinyl]carbonyl}glycine
CID 135928921
N-{[2-Cyclohexyl-1-(2-fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydro-5-pyrimidinyl]carbonyl}glycine
CID 135928932
N-{[2-Cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydro-5-pyrimidinyl]carbonyl}glycine
CID 135928934
N-[(2-Cyclohexyl-4-hydroxy-6-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,6-dihydro-5-pyrimidinyl)carbonyl]glycine
CID 135929005
N-{[2-Cyclohexyl-1-(3,5-difluorophenyl)-4-hydroxy-6-oxo-1,6-dihydro-5-pyrimidinyl]carbonyl}glycine
CID 136200133
N-{[2-Cyclohexyl-1-(2,3-difluorophenyl)-4-hydroxy-6-oxo-1,6-dihydro-5-pyrimidinyl]carbonyl}glycine
CID 136200134
2-[[2-Cyclohexyl-1-[(2,4-difluorophenyl)methyl]-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928956
N-(4-butylphenyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878666
N-(4-ethylphenyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878727
N-{[6-Hydroxy-2,4-dioxo-1-phenyl-3-(phenylmethyl)-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}glycine
CID 24831346

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid (CID 143725571) is 2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid is Cc1ccc(-n2c(C3CCCCC3)nc(O)c(C(=O)NCC(=O)O)c2=O)cc1.
What is the InChIKey of 2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is HUWCPTRBZYPOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-12-7-9-14(10-8-12)23-17(13-5-3-2-4-6-13)22-19(27)16(20(23)28)18(26)21-11-15(24)25/h7-10,13,27H,2-6,11H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 385.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 143725571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).