2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid

C16H19FN4O2 — CID 23512572

IUPAC2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid
SMILESCc1cc(F)ccc1-c1cnc(NCCN(C)C)nc1C(=O)O
InChIInChI=1S/C16H19FN4O2/c1-10-8-11(17)4-5-12(10)13-9-19-16(18-6-7-21(2)3)20-14(13)15(22)23/h4-5,8-9H,6-7H2,1-3H3,(H,22,23)(H,18,19,20)
InChIKeyOEFXGGQZCVXETL-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.26
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid

2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid (PubChem CID 23512572) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid
PubChem CID23512572
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid
SMILESCc1cc(F)ccc1-c1cnc(NCCN(C)C)nc1C(=O)O
InChIInChI=1S/C16H19FN4O2/c1-10-8-11(17)4-5-12(10)13-9-19-16(18-6-7-21(2)3)20-14(13)15(22)23/h4-5,8-9H,6-7H2,1-3H3,(H,22,23)(H,18,19,20)
InChIKeyOEFXGGQZCVXETL-UHFFFAOYSA-N
XLogP2.26
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethylamino]-4-(4-fluorophenoxy)pyrimidine-5-carboxylic acid
CID 22674292
5-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid
CID 23512593
2-[2-(dimethylamino)ethylamino]-4-(4-fluorophenoxy)pyrimidine-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine
CID 22674291
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[2-(dimethylamino)ethylamino]-N-methyl-5-phenylpyrimidine-4-carboxamide
CID 54244080
5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid
CID 71268378
5-bromo-2-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid
CID 106512106
N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28582966
2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109252869
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluoro-2-methylphenyl)-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide
CID 54277578
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181383
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
CID 81476549
N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine
CID 3613650

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid (CID 23512572) is 2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid is Cc1cc(F)ccc1-c1cnc(NCCN(C)C)nc1C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is OEFXGGQZCVXETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-10-8-11(17)4-5-12(10)13-9-19-16(18-6-7-21(2)3)20-14(13)15(22)23/h4-5,8-9H,6-7H2,1-3H3,(H,22,23)(H,18,19,20).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid?
2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-5-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 23512572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).