4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid

C15H23N3O2 — CID 83181984

IUPAC4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NCCC2CCCC(C)C2)ncc1C(=O)O
InChIInChI=1S/C15H23N3O2/c1-10-4-3-5-12(8-10)6-7-16-15-17-9-13(14(19)20)11(2)18-15/h9-10,12H,3-8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyRQXDNHMAOVSCJM-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.11
Rot. Bonds5

About 4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid

4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid (PubChem CID 83181984) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid
PubChem CID83181984
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NCCC2CCCC(C)C2)ncc1C(=O)O
InChIInChI=1S/C15H23N3O2/c1-10-4-3-5-12(8-10)6-7-16-15-17-9-13(14(19)20)11(2)18-15/h9-10,12H,3-8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyRQXDNHMAOVSCJM-UHFFFAOYSA-N
XLogP3.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 114148420
5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 114919693
2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181981
4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 107418984
5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80821828
N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine
CID 114789119
2-[2-[(3R,4S)-4-hydroxyoxolan-3-yl]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 167757701
2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181617
3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 105382378
4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid
CID 83181541
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 83182047

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid (CID 83181984) is 4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid is Cc1nc(NCCC2CCCC(C)C2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid?
The InChIKey is RQXDNHMAOVSCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-4-3-5-12(8-10)6-7-16-15-17-9-13(14(19)20)11(2)18-15/h9-10,12H,3-8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid?
4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).