4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid

C10H10F3N3O2 — CID 106213853

IUPAC4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NC2(C(F)(F)F)CC2)ncc1C(=O)O
InChIInChI=1S/C10H10F3N3O2/c1-5-6(7(17)18)4-14-8(15-5)16-9(2-3-9)10(11,12)13/h4H,2-3H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyHDESBZJHHXKXGK-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.99
Rot. Bonds3

About 4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid

4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid (PubChem CID 106213853) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid
PubChem CID106213853
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NC2(C(F)(F)F)CC2)ncc1C(=O)O
InChIInChI=1S/C10H10F3N3O2/c1-5-6(7(17)18)4-14-8(15-5)16-9(2-3-9)10(11,12)13/h4H,2-3H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyHDESBZJHHXKXGK-UHFFFAOYSA-N
XLogP1.99
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
4-methyl-2-(3-methylbutan-2-ylamino)pyrimidine-5-carboxylic acid
CID 83181728
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 136575644
4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 103063365
2-[(3,3-dimethyloxan-4-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 167821719
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid
CID 106213918
4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid
CID 83181871
4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid
CID 83181541
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182016
2-[(4-fluoro-3,5-dimethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83180580

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid (CID 106213853) is 4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid is Cc1nc(NC2(C(F)(F)F)CC2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid?
The InChIKey is HDESBZJHHXKXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c1-5-6(7(17)18)4-14-8(15-5)16-9(2-3-9)10(11,12)13/h4H,2-3H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid?
4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid has a molecular weight of 261.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 106213853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).