2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid

C9H11N3O2 — CID 84664586

IUPAC2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC2CC2)n1
InChIInChI=1S/C9H11N3O2/c13-9(14)7-3-4-10-8(12-7)5-11-6-1-2-6/h3-4,6,11H,1-2,5H2,(H,13,14)
InChIKeyCHQPMMOJQLUQIQ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.43
Rot. Bonds4

About 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid

2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid (PubChem CID 84664586) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
PubChem CID84664586
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC2CC2)n1
InChIInChI=1S/C9H11N3O2/c13-9(14)7-3-4-10-8(12-7)5-11-6-1-2-6/h3-4,6,11H,1-2,5H2,(H,13,14)
InChIKeyCHQPMMOJQLUQIQ-UHFFFAOYSA-N
XLogP0.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(acetamidomethyl)pyrimidine-4-carboxylic acid
CID 84665880
2-(hydroxymethyl)pyrimidine-4-carboxylic acid
CID 105430018
N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine
CID 63318876
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898651
2-(2-methylpropyl)pyrimidine-4-carboxylic acid
CID 62749024
N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898661
2-cyclobutylpyrimidine-4-carboxylic acid
CID 64985955
5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 117214529
5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid
CID 117213219
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749177
2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid
CID 107555001

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid (CID 84664586) is 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(CNC2CC2)n1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid?
The InChIKey is CHQPMMOJQLUQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(14)7-3-4-10-8(12-7)5-11-6-1-2-6/h3-4,6,11H,1-2,5H2,(H,13,14).
What are the key properties of 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid?
2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 84664586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).