5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid

C9H10ClN3O2 — CID 83869042

IUPAC5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCNc1nc(C2CC2)nc(C(=O)O)c1Cl
InChIInChI=1S/C9H10ClN3O2/c1-11-8-5(10)6(9(14)15)12-7(13-8)4-2-3-4/h4H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyTZRDZDZSVZHSCN-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.75
Rot. Bonds3

About 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid

5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid (PubChem CID 83869042) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid
PubChem CID83869042
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCNc1nc(C2CC2)nc(C(=O)O)c1Cl
InChIInChI=1S/C9H10ClN3O2/c1-11-8-5(10)6(9(14)15)12-7(13-8)4-2-3-4/h4H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyTZRDZDZSVZHSCN-UHFFFAOYSA-N
XLogP1.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid
CID 58220583
5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid
CID 58220674
5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid
CID 83868987
6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid;hydrate
CID 67084337
5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
CID 42642642
5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 67094756
N-benzyl-6-(benzylamino)-5-chloro-2-cyclopropylpyrimidine-4-carboxamide
CID 67094511
methyl 5-chloro-2-cyclopropyl-6-[[(3S,4S)-4-hydroxyoxolan-3-yl]amino]pyrimidine-4-carboxylate
CID 58220840
methyl 5-chloro-2-cyclopropyl-6-[(2-methyl-1-phenylpropyl)amino]pyrimidine-4-carboxylate
CID 140564379
2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid
CID 84697489
methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
CID 84690746
methyl 5-chloro-2-cyclopropyl-6-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidine-4-carboxylate
CID 58220775

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid (CID 83869042) is 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid is CNc1nc(C2CC2)nc(C(=O)O)c1Cl.
What is the InChIKey of 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid?
The InChIKey is TZRDZDZSVZHSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-11-8-5(10)6(9(14)15)12-7(13-8)4-2-3-4/h4H,2-3H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid?
5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid has a molecular weight of 227.65 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83869042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).