methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate

C12H18N4O2 — CID 66285041

IUPACmethyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC2CCN(C)C2)n1
InChIInChI=1S/C12H18N4O2/c1-8-6-10(14-9-4-5-16(2)7-9)15-11(13-8)12(17)18-3/h6,9H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyCUQXFHLYIPARRD-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.69
Rot. Bonds3

About methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate

methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate (PubChem CID 66285041) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate
PubChem CID66285041
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC2CCN(C)C2)n1
InChIInChI=1S/C12H18N4O2/c1-8-6-10(14-9-4-5-16(2)7-9)15-11(13-8)12(17)18-3/h6,9H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyCUQXFHLYIPARRD-UHFFFAOYSA-N
XLogP0.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate with MolForge

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Related Compounds

methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate
CID 66286445
methyl 4-[(1-methylpiperidin-3-yl)amino]pyrimidine-2-carboxylate
CID 66284636
2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 62481987
2-chloro-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 54949787
methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate
CID 66285279
methyl 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylate
CID 114405790
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80797834
6-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 61465352
methyl 6-[(1-methylpiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66455915
methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 80571176
methyl 4-[2-(azepan-1-yl)ethylamino]-6-methylpyrimidine-2-carboxylate
CID 66285238

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate (CID 66285041) is methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NC2CCN(C)C2)n1.
What is the InChIKey of methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate?
The InChIKey is CUQXFHLYIPARRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-6-10(14-9-4-5-16(2)7-9)15-11(13-8)12(17)18-3/h6,9H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate?
methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66285041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).