2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid

C15H17N3O4 — CID 82169115

IUPAC2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid
SMILESCCNc1nc(-c2ccc(OC)cc2OC)ncc1C(=O)O
InChIInChI=1S/C15H17N3O4/c1-4-16-14-11(15(19)20)8-17-13(18-14)10-6-5-9(21-2)7-12(10)22-3/h5-8H,4H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeySBVYTADQDGPZIK-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.29
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid

2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid (PubChem CID 82169115) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid
PubChem CID82169115
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid
SMILESCCNc1nc(-c2ccc(OC)cc2OC)ncc1C(=O)O
InChIInChI=1S/C15H17N3O4/c1-4-16-14-11(15(19)20)8-17-13(18-14)10-6-5-9(21-2)7-12(10)22-3/h5-8H,4H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeySBVYTADQDGPZIK-UHFFFAOYSA-N
XLogP2.29
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid
CID 82169097
2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169256
2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 53223746
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072
2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 178100025
2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169164
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82302598
6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95477838
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid (CID 82169115) is 2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid is CCNc1nc(-c2ccc(OC)cc2OC)ncc1C(=O)O.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is SBVYTADQDGPZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-4-16-14-11(15(19)20)8-17-13(18-14)10-6-5-9(21-2)7-12(10)22-3/h5-8H,4H2,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid?
2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82169115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).