6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid

C15H17N3O2 — CID 82306131

IUPAC6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid
SMILESCCc1cccc(C)c1Nc1cc(C(=O)O)nc(C)n1
InChIInChI=1S/C15H17N3O2/c1-4-11-7-5-6-9(2)14(11)18-13-8-12(15(19)20)16-10(3)17-13/h5-8H,4H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyUNXGFCCRVQEHNC-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.10
Rot. Bonds4

About 6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid

6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid (PubChem CID 82306131) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid
PubChem CID82306131
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid
SMILESCCc1cccc(C)c1Nc1cc(C(=O)O)nc(C)n1
InChIInChI=1S/C15H17N3O2/c1-4-11-7-5-6-9(2)14(11)18-13-8-12(15(19)20)16-10(3)17-13/h5-8H,4H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyUNXGFCCRVQEHNC-UHFFFAOYSA-N
XLogP3.10
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363342
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(2-ethyl-6-methylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372931
N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362604
2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023890
N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361834
N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368422
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
N-(2-ethyl-6-methylphenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909511
N-(2-ethyl-6-methylphenyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875535
N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361061
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812
4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871395

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid (CID 82306131) is 6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid is CCc1cccc(C)c1Nc1cc(C(=O)O)nc(C)n1.
What is the InChIKey of 6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid?
The InChIKey is UNXGFCCRVQEHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-11-7-5-6-9(2)14(11)18-13-8-12(15(19)20)16-10(3)17-13/h5-8H,4H2,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of 6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid?
6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82306131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).