2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde

C19H18N4O2 — CID 118243094

IUPAC2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde
SMILESO=CCc1cnc2c(N3CCOCC3)nc(-c3ccccc3)nc2c1
InChIInChI=1S/C19H18N4O2/c24-9-6-14-12-16-17(20-13-14)19(23-7-10-25-11-8-23)22-18(21-16)15-4-2-1-3-5-15/h1-5,9,12-13H,6-8,10-11H2
InChIKeyRJFASPVHIWQBOR-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.27
Rot. Bonds4

About 2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde

2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde (PubChem CID 118243094) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde
PubChem CID118243094
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde
SMILESO=CCc1cnc2c(N3CCOCC3)nc(-c3ccccc3)nc2c1
InChIInChI=1S/C19H18N4O2/c24-9-6-14-12-16-17(20-13-14)19(23-7-10-25-11-8-23)22-18(21-16)15-4-2-1-3-5-15/h1-5,9,12-13H,6-8,10-11H2
InChIKeyRJFASPVHIWQBOR-UHFFFAOYSA-N
XLogP2.27
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.27
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

N-methyl-1-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)methanamine
CID 118243086
3-[7-(aminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994380
2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
CID 118243122
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130
2-[3-(methylsulfanylmethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
CID 144572813
1-[4-(hydroxymethyl)phenyl]-3-[4-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one
CID 158960863
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
3-[7-(methoxyiminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 123269409
5-[7-[3-(cyclopropylsulfonylmethyl)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 161224030
3-[7-[[4-(fluoromethyl)triazol-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 90038220
3-[7-(2-hydroxy-1-hydroxysulfanylethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994336
4-morpholin-4-yl-2-phenylquinazolin-6-ol
CID 3100191

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde?
The IUPAC name of 2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde (CID 118243094) is 2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde.
What is the SMILES notation for 2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde?
The canonical SMILES for 2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde is O=CCc1cnc2c(N3CCOCC3)nc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde?
The InChIKey is RJFASPVHIWQBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-9-6-14-12-16-17(20-13-14)19(23-7-10-25-11-8-23)22-18(21-16)15-4-2-1-3-5-15/h1-5,9,12-13H,6-8,10-11H2.
What are the key properties of 2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde?
2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde has a molecular weight of 334.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde is sourced from PubChem (CID 118243094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).