tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

C16H25N5O2 — CID 67538462

IUPACtert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncnc3c2CCCN3)CC1
InChIInChI=1S/C16H25N5O2/c1-16(2,3)23-15(22)21-9-7-20(8-10-21)14-12-5-4-6-17-13(12)18-11-19-14/h11H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyUJKLQLHGMNLAEQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.89
Rot. Bonds1

About tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 67538462) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID67538462
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Nametert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncnc3c2CCCN3)CC1
InChIInChI=1S/C16H25N5O2/c1-16(2,3)23-15(22)21-9-7-20(8-10-21)14-12-5-4-6-17-13(12)18-11-19-14/h11H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyUJKLQLHGMNLAEQ-UHFFFAOYSA-N
XLogP1.89
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate (CID 67538462) is tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncnc3c2CCCN3)CC1.
What is the InChIKey of tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is UJKLQLHGMNLAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-16(2,3)23-15(22)21-9-7-20(8-10-21)14-12-5-4-6-17-13(12)18-11-19-14/h11H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 67538462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).