4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

C19H23N7O — CID 5328348

IUPAC4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1
InChIInChI=1S/C19H23N7O/c1-14-3-2-4-15(11-14)24-18-17-16(22-13-23-18)12-21-19(25-17)20-5-6-26-7-9-27-10-8-26/h2-4,11-13H,5-10H2,1H3,(H,20,21,25)(H,22,23,24)
InChIKeyCOTLDEHUICFEBP-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.22
Rot. Bonds6

About 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 5328348) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID5328348
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1
InChIInChI=1S/C19H23N7O/c1-14-3-2-4-15(11-14)24-18-17-16(22-13-23-18)12-21-19(25-17)20-5-6-26-7-9-27-10-8-26/h2-4,11-13H,5-10H2,1H3,(H,20,21,25)(H,22,23,24)
InChIKeyCOTLDEHUICFEBP-UHFFFAOYSA-N
XLogP2.22
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine 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 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (CID 5328348) is 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is Cc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1.
What is the InChIKey of 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is COTLDEHUICFEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-14-3-2-4-15(11-14)24-18-17-16(22-13-23-18)12-21-19(25-17)20-5-6-26-7-9-27-10-8-26/h2-4,11-13H,5-10H2,1H3,(H,20,21,25)(H,22,23,24).
What are the key properties of 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 365.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).