4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid

C9H11N3O2 — CID 130484563

IUPAC4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid
SMILESCC1CC1Nc1ncncc1C(=O)O
InChIInChI=1S/C9H11N3O2/c1-5-2-7(5)12-8-6(9(13)14)3-10-4-11-8/h3-5,7H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyWXCIHSGOQGUOPT-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.00
Rot. Bonds3

About 4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid

4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid (PubChem CID 130484563) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid
PubChem CID130484563
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid
SMILESCC1CC1Nc1ncncc1C(=O)O
InChIInChI=1S/C9H11N3O2/c1-5-2-7(5)12-8-6(9(13)14)3-10-4-11-8/h3-5,7H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyWXCIHSGOQGUOPT-UHFFFAOYSA-N
XLogP1.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-tricyclo[3.2.1.02,4]octanylamino)pyrimidine-5-carboxylic acid
CID 114214807
4-(hydroxyamino)pyrimidine-5-carboxylic acid
CID 127018723
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid
CID 114214557
4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 28905979
4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103254754
4-[[(9R)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl]amino]pyrimidine-5-carboxylic acid
CID 98842200
methyl 4-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxylate
CID 114214703
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 142718123
4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 114214842
4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid
CID 114214142
N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 62398968
4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid
CID 114214734

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid (CID 130484563) is 4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid is CC1CC1Nc1ncncc1C(=O)O.
What is the InChIKey of 4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is WXCIHSGOQGUOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5-2-7(5)12-8-6(9(13)14)3-10-4-11-8/h3-5,7H,2H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid?
4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 130484563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).