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

C20H24N6O — CID 5328378

IUPAC4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)c1
InChIInChI=1S/C20H24N6O/c1-15-3-2-4-16(11-15)25-20-17-12-19(22-13-18(17)23-14-24-20)21-5-6-26-7-9-27-10-8-26/h2-4,11-14H,5-10H2,1H3,(H,21,22)(H,23,24,25)
InChIKeyNSTUOVNEBPHBFU-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.82
Rot. Bonds6

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

4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 5328378) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID5328378
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)c1
InChIInChI=1S/C20H24N6O/c1-15-3-2-4-16(11-15)25-20-17-12-19(22-13-18(17)23-14-24-20)21-5-6-26-7-9-27-10-8-26/h2-4,11-14H,5-10H2,1H3,(H,21,22)(H,23,24,25)
InChIKeyNSTUOVNEBPHBFU-UHFFFAOYSA-N
XLogP2.82
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 5328378) is 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is Cc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)c1.
What is the InChIKey of 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is NSTUOVNEBPHBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15-3-2-4-16(11-15)25-20-17-12-19(22-13-18(17)23-14-24-20)21-5-6-26-7-9-27-10-8-26/h2-4,11-14H,5-10H2,1H3,(H,21,22)(H,23,24,25).
What are the key properties of 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 364.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).