ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate

C18H31N5O2 — CID 112862856

IUPACethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCCN(CCC)c1cc(NC2CCN(C(=O)OCC)CC2)ncn1
InChIInChI=1S/C18H31N5O2/c1-4-9-22(10-5-2)17-13-16(19-14-20-17)21-15-7-11-23(12-8-15)18(24)25-6-3/h13-15H,4-12H2,1-3H3,(H,19,20,21)
InChIKeyKQGORCZMAVYHNZ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.14
Rot. Bonds8

About ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate

ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 112862856) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID112862856
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Nameethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCCN(CCC)c1cc(NC2CCN(C(=O)OCC)CC2)ncn1
InChIInChI=1S/C18H31N5O2/c1-4-9-22(10-5-2)17-13-16(19-14-20-17)21-15-7-11-23(12-8-15)18(24)25-6-3/h13-15H,4-12H2,1-3H3,(H,19,20,21)
InChIKeyKQGORCZMAVYHNZ-UHFFFAOYSA-N
XLogP3.14
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]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-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241296
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352855
ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849522
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109338885
ethyl 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 91779196
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160189
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890
ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 154752830

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 112862856) is ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate is CCCN(CCC)c1cc(NC2CCN(C(=O)OCC)CC2)ncn1.
What is the InChIKey of ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is KQGORCZMAVYHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-4-9-22(10-5-2)17-13-16(19-14-20-17)21-15-7-11-23(12-8-15)18(24)25-6-3/h13-15H,4-12H2,1-3H3,(H,19,20,21).
What are the key properties of ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 349.48 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 112862856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).