methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate

C15H24N4O2 — CID 66286242

IUPACmethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NCC(C)CN2CCCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-12(11-19-8-4-3-5-9-19)10-17-13-6-7-16-14(18-13)15(20)21-2/h6-7,12H,3-5,8-11H2,1-2H3,(H,16,17,18)
InChIKeyXHDLAOKRCFTMIB-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.80
Rot. Bonds6

About methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate

methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate (PubChem CID 66286242) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate
PubChem CID66286242
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Namemethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NCC(C)CN2CCCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-12(11-19-8-4-3-5-9-19)10-17-13-6-7-16-14(18-13)15(20)21-2/h6-7,12H,3-5,8-11H2,1-2H3,(H,16,17,18)
InChIKeyXHDLAOKRCFTMIB-UHFFFAOYSA-N
XLogP1.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]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-[(2-methoxycarbonylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 81066836
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 133297711
methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate
CID 60968158
methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate
CID 66285080
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid
CID 107553892
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 62994036
6-methoxy-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine
CID 62991684
methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
CID 66287417
methyl 4-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 114138490
methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate
CID 107816442
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80647967
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrazin-2-amine
CID 62992157

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate (CID 66286242) is methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate is COC(=O)c1nccc(NCC(C)CN2CCCCC2)n1.
What is the InChIKey of methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate?
The InChIKey is XHDLAOKRCFTMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(11-19-8-4-3-5-9-19)10-17-13-6-7-16-14(18-13)15(20)21-2/h6-7,12H,3-5,8-11H2,1-2H3,(H,16,17,18).
What are the key properties of methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate?
methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66286242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).