methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate

C12H18N4O2 — CID 69357108

IUPACmethyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N2CCC(N)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-8-7-10(11(17)18-2)15-12(14-8)16-5-3-9(13)4-6-16/h7,9H,3-6,13H2,1-2H3
InChIKeyFDPMXNMNENJADW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.50
Rot. Bonds2

About methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate

methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate (PubChem CID 69357108) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate
PubChem CID69357108
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N2CCC(N)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-8-7-10(11(17)18-2)15-12(14-8)16-5-3-9(13)4-6-16/h7,9H,3-6,13H2,1-2H3
InChIKeyFDPMXNMNENJADW-UHFFFAOYSA-N
XLogP0.50
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate
CID 164699665
methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798
2-[1-(4-carbamothioyl-6-methylpyrimidin-2-yl)piperidin-4-yl]acetamide
CID 107547028
methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate
CID 170364090
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate
CID 67209275
methyl 2-amino-6-methylpyrimidine-4-carboxylate
CID 818455
2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550246
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 66509632
N-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 95756562
methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate
CID 114214138

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate (CID 69357108) is methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(N2CCC(N)CC2)n1.
What is the InChIKey of methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate?
The InChIKey is FDPMXNMNENJADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-7-10(11(17)18-2)15-12(14-8)16-5-3-9(13)4-6-16/h7,9H,3-6,13H2,1-2H3.
What are the key properties of methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate?
methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 69357108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).