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

C7H8ClN3O2 — CID 83868987

IUPAC5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCNc1nc(C)nc(C(=O)O)c1Cl
InChIInChI=1S/C7H8ClN3O2/c1-3-10-5(7(12)13)4(8)6(9-2)11-3/h1-2H3,(H,12,13)(H,9,10,11)
InChIKeyMPHJULAQYUCYEO-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.18
Rot. Bonds2

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

5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid (PubChem CID 83868987) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid
PubChem CID83868987
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCNc1nc(C)nc(C(=O)O)c1Cl
InChIInChI=1S/C7H8ClN3O2/c1-3-10-5(7(12)13)4(8)6(9-2)11-3/h1-2H3,(H,12,13)(H,9,10,11)
InChIKeyMPHJULAQYUCYEO-UHFFFAOYSA-N
XLogP1.18
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid
CID 83869042
6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid
CID 83868984
6-chloro-N,2,5-trimethylpyrimidin-4-amine
CID 59158241
4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine
CID 21059252
[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol
CID 164917253
4-amino-2-methyl-6-(methylamino)pyrimidine-5-carboxamide
CID 89181720
4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium
CID 159772832
2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol
CID 58336208
5,6-dichloro-2-iodopyrimidine-4-carboxylic acid
CID 143326586
4,6-dimethyl-1,3,5-triazine-2-carboxylic acid
CID 58078164
3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride
CID 70617975
2,5,6-trichloro-N-methylpyrimidin-4-amine
CID 20705355

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid (CID 83868987) is 5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid is CNc1nc(C)nc(C(=O)O)c1Cl.
What is the InChIKey of 5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid?
The InChIKey is MPHJULAQYUCYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-3-10-5(7(12)13)4(8)6(9-2)11-3/h1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid?
5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid has a molecular weight of 201.61 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83868987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).