5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C16H19N3O2 — CID 62083995

IUPAC5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N(C)Cc2ccccc2)c(C(=O)O)n1
InChIInChI=1S/C16H19N3O2/c1-11(2)15-17-9-13(14(18-15)16(20)21)19(3)10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,20,21)
InChIKeySLAWUPFBOBEDNM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.93
Rot. Bonds5

About 5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62083995) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62083995
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N(C)Cc2ccccc2)c(C(=O)O)n1
InChIInChI=1S/C16H19N3O2/c1-11(2)15-17-9-13(14(18-15)16(20)21)19(3)10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,20,21)
InChIKeySLAWUPFBOBEDNM-UHFFFAOYSA-N
XLogP2.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid 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

5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 102993982
[5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62088864
[5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62088677
5-[2-cyanoethyl(2-methylpropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62088482
5-[(3-methylphenyl)methylsulfanyl]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62771097
5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086111
5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087048
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 86858496
2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248842
5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 62156181
N-benzyl-N-methyl-5-propan-2-ylpyrimidin-2-amine
CID 130210262
5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 62017148

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62083995) is 5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(N(C)Cc2ccccc2)c(C(=O)O)n1.
What is the InChIKey of 5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is SLAWUPFBOBEDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(2)15-17-9-13(14(18-15)16(20)21)19(3)10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,20,21).
What are the key properties of 5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62083995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).