methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate

C12H18N4O2 — CID 114214138

IUPACmethyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C)nc1N1CCC(N)CC1
InChIInChI=1S/C12H18N4O2/c1-8-14-7-10(12(17)18-2)11(15-8)16-5-3-9(13)4-6-16/h7,9H,3-6,13H2,1-2H3
InChIKeyMBYFICYDYNWIRY-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.50
Rot. Bonds2

About methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate

methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate (PubChem CID 114214138) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate
PubChem CID114214138
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C)nc1N1CCC(N)CC1
InChIInChI=1S/C12H18N4O2/c1-8-14-7-10(12(17)18-2)11(15-8)16-5-3-9(13)4-6-16/h7,9H,3-6,13H2,1-2H3
InChIKeyMBYFICYDYNWIRY-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-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate
CID 114213969
tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate
CID 71242125
methyl 1-(4-carbamoylpiperidin-1-yl)isoquinoline-4-carboxylate
CID 22330783
methyl 4-cyclohexylsulfanyl-2-methylpyrimidine-5-carboxylate
CID 114214963
methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 69357108
ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride
CID 68842869
ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 144575641
methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate
CID 114214671
methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate
CID 114214129
ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate
CID 69361208
methyl 1-(4-piperidin-1-ylpiperidin-1-yl)isoquinoline-4-carboxylate
CID 22581206
methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate
CID 114047167

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate (CID 114214138) is methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate is COC(=O)c1cnc(C)nc1N1CCC(N)CC1.
What is the InChIKey of methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate?
The InChIKey is MBYFICYDYNWIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-14-7-10(12(17)18-2)11(15-8)16-5-3-9(13)4-6-16/h7,9H,3-6,13H2,1-2H3.
What are the key properties of methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate?
methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-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 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 114214138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).