2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid

C14H14FN3O2 — CID 83181525

IUPAC2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NC(C)c2ccc(F)cc2)ncc1C(=O)O
InChIInChI=1S/C14H14FN3O2/c1-8(10-3-5-11(15)6-4-10)17-14-16-7-12(13(19)20)9(2)18-14/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyANXXRCMPCPOEFG-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.80
Rot. Bonds4

About 2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid

2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181525) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181525
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NC(C)c2ccc(F)cc2)ncc1C(=O)O
InChIInChI=1S/C14H14FN3O2/c1-8(10-3-5-11(15)6-4-10)17-14-16-7-12(13(19)20)9(2)18-14/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyANXXRCMPCPOEFG-UHFFFAOYSA-N
XLogP2.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

4-methyl-2-(3-methylbutan-2-ylamino)pyrimidine-5-carboxylic acid
CID 83181728
4-methyl-2-(4-propan-2-ylanilino)pyrimidine-5-carboxylic acid
CID 83181873
N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62960002
4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid
CID 83181314
2-[[(2R)-1-(2,6-difluorophenoxy)propan-2-yl]amino]-4-methylpyrimidine-5-carboxylic acid
CID 167880701
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid
CID 150717053
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyridine-3-carboxylic acid
CID 67007882
N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256548
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81244192
2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid
CID 67007995

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid (CID 83181525) is 2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid is Cc1nc(NC(C)c2ccc(F)cc2)ncc1C(=O)O.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is ANXXRCMPCPOEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-8(10-3-5-11(15)6-4-10)17-14-16-7-12(13(19)20)9(2)18-14/h3-8H,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid?
2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).