ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate

C17H27N5O3 — CID 109340250

IUPACethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(NCC(C)C)ncn2)CC1
InChIInChI=1S/C17H27N5O3/c1-4-25-17(24)22-7-5-13(6-8-22)21-16(23)14-9-15(20-11-19-14)18-10-12(2)3/h9,11-13H,4-8,10H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyMXAFHHULTUAUOG-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.90
Rot. Bonds6

About ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109340250) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109340250
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Nameethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(NCC(C)C)ncn2)CC1
InChIInChI=1S/C17H27N5O3/c1-4-25-17(24)22-7-5-13(6-8-22)21-16(23)14-9-15(20-11-19-14)18-10-12(2)3/h9,11-13H,4-8,10H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyMXAFHHULTUAUOG-UHFFFAOYSA-N
XLogP1.90
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-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

ethyl 4-[[6-(3-methylbutylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109352758
ethyl 4-[[6-(butylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109339864
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109338885
ethyl 4-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109352783
ethyl 4-[[5-(2-methylpropylamino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109224977
ethyl 4-[[4-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205889
ethyl 4-[[6-(butylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109361602
ethyl 4-[[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112908519
ethyl 4-[[6-(cyclohexylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109363822
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[[4-(4-methylpiperidin-1-yl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205297
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352740

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate (CID 109340250) is ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(NCC(C)C)ncn2)CC1.
What is the InChIKey of ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is MXAFHHULTUAUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-4-25-17(24)22-7-5-13(6-8-22)21-16(23)14-9-15(20-11-19-14)18-10-12(2)3/h9,11-13H,4-8,10H2,1-3H3,(H,21,23)(H,18,19,20).
What are the key properties of ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 349.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109340250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).