ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate

C13H20N4O2 — CID 83181624

IUPACethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCCNC2)nc1C
InChIInChI=1S/C13H20N4O2/c1-3-19-12(18)11-8-15-13(16-9(11)2)17-10-5-4-6-14-7-10/h8,10,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeySOJKPDPKFIHGCL-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.13
Rot. Bonds4

About ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate

ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate (PubChem CID 83181624) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
PubChem CID83181624
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nameethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCCNC2)nc1C
InChIInChI=1S/C13H20N4O2/c1-3-19-12(18)11-8-15-13(16-9(11)2)17-10-5-4-6-14-7-10/h8,10,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeySOJKPDPKFIHGCL-UHFFFAOYSA-N
XLogP1.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate (CID 83181624) is ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC2CCCNC2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate?
The InChIKey is SOJKPDPKFIHGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-19-12(18)11-8-15-13(16-9(11)2)17-10-5-4-6-14-7-10/h8,10,14H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate?
ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 83181624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).