2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid

C12H17N3O2 — CID 107553650

IUPAC2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N(C)C(C)C2CC2)n1
InChIInChI=1S/C12H17N3O2/c1-7-6-10(11(16)17)14-12(13-7)15(3)8(2)9-4-5-9/h6,8-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyMIDKQJDLUVFWBU-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.72
Rot. Bonds4

About 2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid

2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107553650) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
PubChem CID107553650
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N(C)C(C)C2CC2)n1
InChIInChI=1S/C12H17N3O2/c1-7-6-10(11(16)17)14-12(13-7)15(3)8(2)9-4-5-9/h6,8-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyMIDKQJDLUVFWBU-UHFFFAOYSA-N
XLogP1.72
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107553609
6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid
CID 107553809
6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid
CID 107553644
4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
CID 43569490
6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid
CID 107553927
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554108
5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114405528
6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
CID 55269383
N-(1-cyclopropylethyl)-N,2,6-trimethylpyrimidin-4-amine
CID 42949489
6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid
CID 58418036
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
CID 67508732
6-methyl-2-[(2-methylcyclopropyl)amino]pyrimidine-4-carboxylic acid
CID 107553377

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid (CID 107553650) is 2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(N(C)C(C)C2CC2)n1.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is MIDKQJDLUVFWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-6-10(11(16)17)14-12(13-7)15(3)8(2)9-4-5-9/h6,8-9H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid?
2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).