methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate

C12H16ClN3O3 — CID 178104654

IUPACmethyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)cc(OCC2CCCN2C)n1
InChIInChI=1S/C12H16ClN3O3/c1-16-5-3-4-8(16)7-19-10-6-9(13)14-11(15-10)12(17)18-2/h6,8H,3-5,7H2,1-2H3
InChIKeyBNJGPSKCQLFXGZ-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.39
Rot. Bonds4

About methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate

methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate (PubChem CID 178104654) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate
PubChem CID178104654
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Namemethyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)cc(OCC2CCCN2C)n1
InChIInChI=1S/C12H16ClN3O3/c1-16-5-3-4-8(16)7-19-10-6-9(13)14-11(15-10)12(17)18-2/h6,8H,3-5,7H2,1-2H3
InChIKeyBNJGPSKCQLFXGZ-UHFFFAOYSA-N
XLogP1.39
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid
CID 168910704
methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate
CID 168910640
2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid
CID 65472831
4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid
CID 166870743
acetylene;(2R)-2-[(Z)-1-amino-2-[4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carbonyl]pent-1-enyl]cyclohexan-1-one;methanol
CID 168910752
methyl 4-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoate
CID 58575050
[2-methyl-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-yl]hydrazine
CID 80921266
methyl 4-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 114138490
acetic acid;2-[(4-ethylphenoxy)methyl]-1-methylpyrrolidine
CID 91515724
2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid
CID 114137693
3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid
CID 21309714
methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate
CID 114409060

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate (CID 178104654) is methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate is COC(=O)c1nc(Cl)cc(OCC2CCCN2C)n1.
What is the InChIKey of methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate?
The InChIKey is BNJGPSKCQLFXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-16-5-3-4-8(16)7-19-10-6-9(13)14-11(15-10)12(17)18-2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate?
methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate has a molecular weight of 285.73 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate is sourced from PubChem (CID 178104654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).