1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C14H19N3O4 — CID 136952749

IUPAC1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-7(2)10-16-8(3)9(12(19)17-10)11(18)15-6-14(4-5-14)13(20)21/h7H,4-6H2,1-3H3,(H,15,18)(H,20,21)(H,16,17,19)
InChIKeyBQIBSSDINZSNSF-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.80
Rot. Bonds5

About 1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 136952749) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID136952749
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-7(2)10-16-8(3)9(12(19)17-10)11(18)15-6-14(4-5-14)13(20)21/h7H,4-6H2,1-3H3,(H,15,18)(H,20,21)(H,16,17,19)
InChIKeyBQIBSSDINZSNSF-UHFFFAOYSA-N
XLogP0.80
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449567
1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312008
4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 155962141
1-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362336
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 137030868
1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449376
1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81361778
1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113352844
1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449689
1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450682
1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451089

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 136952749) is 1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is BQIBSSDINZSNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-7(2)10-16-8(3)9(12(19)17-10)11(18)15-6-14(4-5-14)13(20)21/h7H,4-6H2,1-3H3,(H,15,18)(H,20,21)(H,16,17,19).
What are the key properties of 1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 136952749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).