4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid

C7H7F2N3O2 — CID 62892836

IUPAC4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid
SMILESCNc1ncc(C(=O)O)c(C(F)F)n1
InChIInChI=1S/C7H7F2N3O2/c1-10-7-11-2-3(6(13)14)4(12-7)5(8)9/h2,5H,1H3,(H,13,14)(H,10,11,12)
InChIKeyAKWVWYQORGRDKC-UHFFFAOYSA-N
MW203.15 g/mol
LogP1.15
Rot. Bonds3

About 4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid

4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid (PubChem CID 62892836) has the molecular formula C7H7F2N3O2 and a molecular weight of 203.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid
PubChem CID62892836
Molecular FormulaC7H7F2N3O2
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Name4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid
SMILESCNc1ncc(C(=O)O)c(C(F)F)n1
InChIInChI=1S/C7H7F2N3O2/c1-10-7-11-2-3(6(13)14)4(12-7)5(8)9/h2,5H,1H3,(H,13,14)(H,10,11,12)
InChIKeyAKWVWYQORGRDKC-UHFFFAOYSA-N
XLogP1.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol
CID 126974118
4-(difluoromethyl)-2-(ethylsulfanylmethyl)pyrimidine-5-carboxylic acid
CID 65127864
4-(difluoromethyl)-2-(2-methoxyethyl)pyrimidine-5-carboxylic acid
CID 62893011
4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid
CID 65197670
2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid
CID 64986088
4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid
CID 62891095
4-(difluoromethyl)-2-(3,5-difluorophenyl)pyrimidine-5-carboxylic acid
CID 62890565
4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid
CID 62891961
4-(difluoromethyl)-2-(1-methoxycyclobutyl)pyrimidine-5-carboxylic acid
CID 116728189
4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidine-5-carboxylic acid
CID 65415025
4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid
CID 63987726
4-(difluoromethyl)-2-(6-methoxypyrimidin-4-yl)pyrimidine-5-carboxylic acid
CID 102952603

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid (CID 62892836) is 4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid is CNc1ncc(C(=O)O)c(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid?
The InChIKey is AKWVWYQORGRDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O2/c1-10-7-11-2-3(6(13)14)4(12-7)5(8)9/h2,5H,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid?
4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid has a molecular weight of 203.15 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62892836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).