2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde

C19H18N4O2 — CID 118243122

IUPAC2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
SMILESCc1cccc(-c2nc(N3CCOCC3)c3ncc(C=O)cc3n2)c1
InChIInChI=1S/C19H18N4O2/c1-13-3-2-4-15(9-13)18-21-16-10-14(12-24)11-20-17(16)19(22-18)23-5-7-25-8-6-23/h2-4,9-12H,5-8H2,1H3
InChIKeyYGOFBDNOLVESKT-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.65
Rot. Bonds3

About 2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde

2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde (PubChem CID 118243122) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
PubChem CID118243122
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
SMILESCc1cccc(-c2nc(N3CCOCC3)c3ncc(C=O)cc3n2)c1
InChIInChI=1S/C19H18N4O2/c1-13-3-2-4-15(9-13)18-21-16-10-14(12-24)11-20-17(16)19(22-18)23-5-7-25-8-6-23/h2-4,9-12H,5-8H2,1H3
InChIKeyYGOFBDNOLVESKT-UHFFFAOYSA-N
XLogP2.65
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[3-(methylsulfanylmethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
CID 144572813
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130
2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde
CID 118243094
3-[7-(methoxyiminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 123269409
4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
CID 42635323
3-[7-(aminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994380
4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922588
N-methyl-1-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)methanamine
CID 118243086
3-[7-(2-hydroxy-1-hydroxysulfanylethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994336
1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]-3,3-dimethylbutan-2-one
CID 161430959
5-(3-methylphenyl)-2-[4-morpholin-4-yl-7-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]-1H-pyrazol-3-one
CID 168922544
3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 159591396

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde?
The IUPAC name of 2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde (CID 118243122) is 2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde.
What is the SMILES notation for 2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde?
The canonical SMILES for 2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde is Cc1cccc(-c2nc(N3CCOCC3)c3ncc(C=O)cc3n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde?
The InChIKey is YGOFBDNOLVESKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-3-2-4-15(9-13)18-21-16-10-14(12-24)11-20-17(16)19(22-18)23-5-7-25-8-6-23/h2-4,9-12H,5-8H2,1H3.
What are the key properties of 2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde?
2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde has a molecular weight of 334.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde is sourced from PubChem (CID 118243122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).