tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate

C24H34N6O2 — CID 142548869

IUPACtert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCN(Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1)C1CCCc2cccnc21
InChIInChI=1S/C24H34N6O2/c1-24(2,3)32-23(31)30-13-11-29(12-14-30)21-15-19(26-17-27-21)16-28(4)20-9-5-7-18-8-6-10-25-22(18)20/h6,8,10,15,17,20H,5,7,9,11-14,16H2,1-4H3
InChIKeyROVPREHMYVPCBD-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.44
Rot. Bonds4

About tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate

tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 142548869) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID142548869
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Nametert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCN(Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1)C1CCCc2cccnc21
InChIInChI=1S/C24H34N6O2/c1-24(2,3)32-23(31)30-13-11-29(12-14-30)21-15-19(26-17-27-21)16-28(4)20-9-5-7-18-8-6-10-25-22(18)20/h6,8,10,15,17,20H,5,7,9,11-14,16H2,1-4H3
InChIKeyROVPREHMYVPCBD-UHFFFAOYSA-N
XLogP3.44
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate (CID 142548869) is tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate is CN(Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1)C1CCCc2cccnc21.
What is the InChIKey of tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is ROVPREHMYVPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-24(2,3)32-23(31)30-13-11-29(12-14-30)21-15-19(26-17-27-21)16-28(4)20-9-5-7-18-8-6-10-25-22(18)20/h6,8,10,15,17,20H,5,7,9,11-14,16H2,1-4H3.
What are the key properties of tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate?
tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 438.58 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 142548869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).