methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate

C13H20N4O2 — CID 66287123

IUPACmethyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(N2CCCCC2CCN)n1
InChIInChI=1S/C13H20N4O2/c1-19-13(18)12-15-8-6-11(16-12)17-9-3-2-4-10(17)5-7-14/h6,8,10H,2-5,7,9,14H2,1H3
InChIKeyWCCXUJPDBKUJDE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.97
Rot. Bonds4

About methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate

methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate (PubChem CID 66287123) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate
PubChem CID66287123
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namemethyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(N2CCCCC2CCN)n1
InChIInChI=1S/C13H20N4O2/c1-19-13(18)12-15-8-6-11(16-12)17-9-3-2-4-10(17)5-7-14/h6,8,10H,2-5,7,9,14H2,1H3
InChIKeyWCCXUJPDBKUJDE-UHFFFAOYSA-N
XLogP0.97
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-aminopyrimidine-2-carboxylate
CID 13060221
Methyl 4-(methylamino)pyrimidine-2-carboxylate
CID 66284806
1-(1-Methoxypropan-2-yl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831205
2-[4-[[4-(Ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide
CID 50963047
4-[2-(6-Aminohexylamino)-4-pyrimidyl]-morpholine
CID 459123
Methyl {4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl}acetate
CID 50964777
Methyl (4-{[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino}piperidin-1-yl)acetate
CID 50971847
methyl 4-[(3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl]pyrimidine-2-carboxylate
CID 132313239
ethyl 4-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
CID 164643114
Ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate
CID 54055633
Fluoro 2-[[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]amino]-2,2-difluoroacetate
CID 87603148
Methyl 4-(4,4-difluoropiperidin-1-yl)pyrimidine-2-carboxylate
CID 168018923

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate (CID 66287123) is methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate is COC(=O)c1nccc(N2CCCCC2CCN)n1.
What is the InChIKey of methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate?
The InChIKey is WCCXUJPDBKUJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-13(18)12-15-8-6-11(16-12)17-9-3-2-4-10(17)5-7-14/h6,8,10H,2-5,7,9,14H2,1H3.
What are the key properties of methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate?
methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate is sourced from PubChem (CID 66287123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).