4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid

C14H15N3O2 — CID 82169097

IUPAC4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid
SMILESCCNc1nc(-c2ccc(C)cc2)ncc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-3-15-13-11(14(18)19)8-16-12(17-13)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyVDZQHWBJNSXPMY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.58
Rot. Bonds4

About 4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid

4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid (PubChem CID 82169097) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid
PubChem CID82169097
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid
SMILESCCNc1nc(-c2ccc(C)cc2)ncc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-3-15-13-11(14(18)19)8-16-12(17-13)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyVDZQHWBJNSXPMY-UHFFFAOYSA-N
XLogP2.58
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169167
2-(4-ethoxyphenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169174
4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid
CID 20562052
2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid
CID 82169115
2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 53215012
4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 83567087
2-(4-ethylsulfanylphenyl)-4-propylpyrimidine-5-carboxylic acid
CID 106849450
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 62192547
2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169164
2-(2-methylphenyl)-4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 82169183
2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 30031621

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid (CID 82169097) is 4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid is CCNc1nc(-c2ccc(C)cc2)ncc1C(=O)O.
What is the InChIKey of 4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid?
The InChIKey is VDZQHWBJNSXPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-15-13-11(14(18)19)8-16-12(17-13)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid?
4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82169097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).