5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C14H16N4O2 — CID 79044079

IUPAC5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCc1ncccc1Nc1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C14H16N4O2/c1-8(2)13-16-7-11(12(18-13)14(19)20)17-10-5-4-6-15-9(10)3/h4-8,17H,1-3H3,(H,19,20)
InChIKeyCEGDKPYXQYNANR-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.75
Rot. Bonds4

About 5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 79044079) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID79044079
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCc1ncccc1Nc1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C14H16N4O2/c1-8(2)13-16-7-11(12(18-13)14(19)20)17-10-5-4-6-15-9(10)3/h4-8,17H,1-3H3,(H,19,20)
InChIKeyCEGDKPYXQYNANR-UHFFFAOYSA-N
XLogP2.75
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63539307
5-(3-bromoanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63537974
5-(2-bromo-5-fluoroanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 107636250
5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63537840
5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62487298
5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086111
4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243430
2-propan-2-yl-5-(prop-2-ynylamino)pyrimidine-4-carboxylic acid
CID 62085951
6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243431
5-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087774
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122
5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086858

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 79044079) is 5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is Cc1ncccc1Nc1cnc(C(C)C)nc1C(=O)O.
What is the InChIKey of 5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is CEGDKPYXQYNANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8(2)13-16-7-11(12(18-13)14(19)20)17-10-5-4-6-15-9(10)3/h4-8,17H,1-3H3,(H,19,20).
What are the key properties of 5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 79044079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).