2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid

C14H14FN3O2 — CID 82169164

IUPAC2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
SMILESCCCNc1nc(-c2ccccc2F)ncc1C(=O)O
InChIInChI=1S/C14H14FN3O2/c1-2-7-16-13-10(14(19)20)8-17-12(18-13)9-5-3-4-6-11(9)15/h3-6,8H,2,7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyQKVOCBHIJSKHRI-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid

2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid (PubChem CID 82169164) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
PubChem CID82169164
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
SMILESCCCNc1nc(-c2ccccc2F)ncc1C(=O)O
InChIInChI=1S/C14H14FN3O2/c1-2-7-16-13-10(14(19)20)8-17-12(18-13)9-5-3-4-6-11(9)15/h3-6,8H,2,7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyQKVOCBHIJSKHRI-UHFFFAOYSA-N
XLogP2.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169063
2-(4-chlorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169167
4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid
CID 82169218
2-(4-ethoxyphenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169174
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072
2-(2-methylphenyl)-4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 82169183
2-(2,5-difluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 116864976
4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid
CID 53311967
4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid
CID 82169097
4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid
CID 20562052
2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid
CID 82169115
4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 83567180

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid (CID 82169164) is 2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid is CCCNc1nc(-c2ccccc2F)ncc1C(=O)O.
What is the InChIKey of 2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid?
The InChIKey is QKVOCBHIJSKHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-2-7-16-13-10(14(19)20)8-17-12(18-13)9-5-3-4-6-11(9)15/h3-6,8H,2,7H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid?
2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82169164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).