4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid

C14H21N3O2 — CID 114214465

IUPAC4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H21N3O2/c1-8-4-9(2)6-11(5-8)17-13-12(14(18)19)7-15-10(3)16-13/h7-9,11H,4-6H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyWOTVLRNBMRQLMF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.72
Rot. Bonds3

About 4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid

4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid (PubChem CID 114214465) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid
PubChem CID114214465
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H21N3O2/c1-8-4-9(2)6-11(5-8)17-13-12(14(18)19)7-15-10(3)16-13/h7-9,11H,4-6H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyWOTVLRNBMRQLMF-UHFFFAOYSA-N
XLogP2.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropylamino)-2-methylpyrimidine-5-carboxylic acid
CID 115148776
4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 114214804
5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid
CID 64732761
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
2-methyl-4-(2,2,3-trimethylbutylamino)pyrimidine-5-carboxylic acid
CID 115148837
4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid
CID 114214864
5-bromo-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 63537993
5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 114047011
O-ethyl 4-(cyclopropylamino)-2-methylpyrimidine-5-carbothioate
CID 141044014
4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid
CID 89127830
2-chloro-5-methyl-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 90877547
2-methyl-4-[(3-methyloxan-3-yl)amino]pyrimidine-5-carboxylic acid
CID 114214825

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid (CID 114214465) is 4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(NC2CC(C)CC(C)C2)n1.
What is the InChIKey of 4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is WOTVLRNBMRQLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8-4-9(2)6-11(5-8)17-13-12(14(18)19)7-15-10(3)16-13/h7-9,11H,4-6H2,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid?
4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).