N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine

C18H20N6O — CID 54561117

IUPACN-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine
SMILESCN(Cc1ccccc1)c1nc(N2CCOCC2)c2ncncc2n1
InChIInChI=1S/C18H20N6O/c1-23(12-14-5-3-2-4-6-14)18-21-15-11-19-13-20-16(15)17(22-18)24-7-9-25-10-8-24/h2-6,11,13H,7-10,12H2,1H3
InChIKeyZQPPHQXCLFWGEV-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.89
Rot. Bonds4

About N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine

N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine (PubChem CID 54561117) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine
PubChem CID54561117
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine
SMILESCN(Cc1ccccc1)c1nc(N2CCOCC2)c2ncncc2n1
InChIInChI=1S/C18H20N6O/c1-23(12-14-5-3-2-4-6-14)18-21-15-11-19-13-20-16(15)17(22-18)24-7-9-25-10-8-24/h2-6,11,13H,7-10,12H2,1H3
InChIKeyZQPPHQXCLFWGEV-UHFFFAOYSA-N
XLogP1.89
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine 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 N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine?
The IUPAC name of N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine (CID 54561117) is N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine?
The canonical SMILES for N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine is CN(Cc1ccccc1)c1nc(N2CCOCC2)c2ncncc2n1.
What is the InChIKey of N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine?
The InChIKey is ZQPPHQXCLFWGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23(12-14-5-3-2-4-6-14)18-21-15-11-19-13-20-16(15)17(22-18)24-7-9-25-10-8-24/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine?
N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine has a molecular weight of 336.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 54561117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).