2-(methylamino)-1H-pyrimidine-2-carboxylic acid

C6H9N3O2 — CID 150068811

IUPAC2-(methylamino)-1H-pyrimidine-2-carboxylic acid
SMILESCNC1(C(=O)O)N=CC=CN1
InChIInChI=1S/C6H9N3O2/c1-7-6(5(10)11)8-3-2-4-9-6/h2-4,7-8H,1H3,(H,10,11)
InChIKeyDOVOBCHNXTZFGC-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.87
Rot. Bonds2

About 2-(methylamino)-1H-pyrimidine-2-carboxylic acid

2-(methylamino)-1H-pyrimidine-2-carboxylic acid (PubChem CID 150068811) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(methylamino)-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)-1H-pyrimidine-2-carboxylic acid
PubChem CID150068811
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(methylamino)-1H-pyrimidine-2-carboxylic acid
SMILESCNC1(C(=O)O)N=CC=CN1
InChIInChI=1S/C6H9N3O2/c1-7-6(5(10)11)8-3-2-4-9-6/h2-4,7-8H,1H3,(H,10,11)
InChIKeyDOVOBCHNXTZFGC-UHFFFAOYSA-N
XLogP-0.87
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Oxo-2,3-dihydropyrimidin-4-yl)glycine
CID 352579
Glycine, N-(3-((carboxymethyl)amino)-2-propenylidene)-
CID 6441434
(Pyrimidin-1(2H)-yl)acetic acid
CID 23039184
Acetic acid;1,2-dihydropyrimidine
CID 20493407
1,2-Dihydropyrimidine-2-carboxylic acid
CID 21293370
methyl 2-methyl-1H-pyrimidine-2-carboxylate
CID 22051117
2-amino-1H-pyrimidine-2-carboxylic acid
CID 69115924
2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
CID 69391627
2-sulfanyl-1H-pyrimidine-2-carboxylic acid
CID 88327193
Ethyl 1,2-dihydropyrimidine-2-carboxylate
CID 130412496
2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid
CID 141179572
2-methyl-1H-pyrimidine-2-carboxylic acid
CID 142786199

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 2-(methylamino)-1H-pyrimidine-2-carboxylic acid (CID 150068811) is 2-(methylamino)-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 2-(methylamino)-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 2-(methylamino)-1H-pyrimidine-2-carboxylic acid is CNC1(C(=O)O)N=CC=CN1.
What is the InChIKey of 2-(methylamino)-1H-pyrimidine-2-carboxylic acid?
The InChIKey is DOVOBCHNXTZFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-7-6(5(10)11)8-3-2-4-9-6/h2-4,7-8H,1H3,(H,10,11).
What are the key properties of 2-(methylamino)-1H-pyrimidine-2-carboxylic acid?
2-(methylamino)-1H-pyrimidine-2-carboxylic acid has a molecular weight of 155.16 g/mol, XLogP of -0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 150068811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).