tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate

C21H26N6O2 — CID 135368494

IUPACtert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C21H26N6O2/c1-20(2,3)29-19(28)24-13-21(4,5)27-18-15-8-11-23-12-16(15)25-17(26-18)14-6-9-22-10-7-14/h6-12H,13H2,1-5H3,(H,24,28)(H,25,26,27)
InChIKeyJNUYQNANNJOEKG-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.80
Rot. Bonds5

About tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate

tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate (PubChem CID 135368494) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate
PubChem CID135368494
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Nametert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C21H26N6O2/c1-20(2,3)29-19(28)24-13-21(4,5)27-18-15-8-11-23-12-16(15)25-17(26-18)14-6-9-22-10-7-14/h6-12H,13H2,1-5H3,(H,24,28)(H,25,26,27)
InChIKeyJNUYQNANNJOEKG-UHFFFAOYSA-N
XLogP3.80
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate 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

CID 5328248
CID 5328248
CID 5328264
CID 5328264
CID 135390649
CID 135390649
CID 10662351
CID 10662351
CID 5328378
CID 5328378
CID 5328379
CID 5328379
CID 137653212
CID 137653212
CID 100639
CID 100639
CID 16048654
CID 16048654
CID 44435409
CID 44435409
CID 45269578
CID 45269578
CID 45275473
CID 45275473

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate (CID 135368494) is tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate is CC(C)(CNC(=O)OC(C)(C)C)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate?
The InChIKey is JNUYQNANNJOEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-20(2,3)29-19(28)24-13-21(4,5)27-18-15-8-11-23-12-16(15)25-17(26-18)14-6-9-22-10-7-14/h6-12H,13H2,1-5H3,(H,24,28)(H,25,26,27).
What are the key properties of tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate?
tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate has a molecular weight of 394.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]carbamate is sourced from PubChem (CID 135368494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).