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

C10H10F3N3O2 — CID 106215272

IUPAC4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)9(1-2-9)16-4-7-6(8(17)18)3-14-5-15-7/h3,5,16H,1-2,4H2,(H,17,18)
InChIKeyUFBHELNRIXTLAW-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.36
Rot. Bonds4

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

4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid (PubChem CID 106215272) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid
PubChem CID106215272
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)9(1-2-9)16-4-7-6(8(17)18)3-14-5-15-7/h3,5,16H,1-2,4H2,(H,17,18)
InChIKeyUFBHELNRIXTLAW-UHFFFAOYSA-N
XLogP1.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid (CID 106215272) is 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1CNC1(C(F)(F)F)CC1.
What is the InChIKey of 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid?
The InChIKey is UFBHELNRIXTLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)9(1-2-9)16-4-7-6(8(17)18)3-14-5-15-7/h3,5,16H,1-2,4H2,(H,17,18).
What are the key properties of 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid?
4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid has a molecular weight of 261.20 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 106215272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).