4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid

C10H12F3N3O2 — CID 83181767

IUPAC4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(N(C)CCC(F)(F)F)ncc1C(=O)O
InChIInChI=1S/C10H12F3N3O2/c1-6-7(8(17)18)5-14-9(15-6)16(2)4-3-10(11,12)13/h5H,3-4H2,1-2H3,(H,17,18)
InChIKeyAVVOCGXSBMDHHH-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.87
Rot. Bonds4

About 4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid

4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid (PubChem CID 83181767) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid
PubChem CID83181767
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(N(C)CCC(F)(F)F)ncc1C(=O)O
InChIInChI=1S/C10H12F3N3O2/c1-6-7(8(17)18)5-14-9(15-6)16(2)4-3-10(11,12)13/h5H,3-4H2,1-2H3,(H,17,18)
InChIKeyAVVOCGXSBMDHHH-UHFFFAOYSA-N
XLogP1.87
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[hexyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 91210438
2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181146
2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181799
4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid
CID 83181099
2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid
CID 83181466
2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181140
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83184172
2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 102994032
2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 79088609
ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate
CID 114230720
4-[3,3-dimethylbutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148828

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid (CID 83181767) is 4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid is Cc1nc(N(C)CCC(F)(F)F)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is AVVOCGXSBMDHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-6-7(8(17)18)5-14-9(15-6)16(2)4-3-10(11,12)13/h5H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid?
4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).