[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol

C19H20N4O2 — CID 118243130

IUPAC[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
SMILESCc1cccc(-c2nc(N3CCOCC3)c3ncc(CO)cc3n2)c1
InChIInChI=1S/C19H20N4O2/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/h2-4,9-11,24H,5-8,12H2,1H3
InChIKeyGHNBOOLMEUYSCD-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.33
Rot. Bonds3

About [2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol

[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol (PubChem CID 118243130) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol.

Molecular Properties

Compound Name[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
PubChem CID118243130
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
SMILESCc1cccc(-c2nc(N3CCOCC3)c3ncc(CO)cc3n2)c1
InChIInChI=1S/C19H20N4O2/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/h2-4,9-11,24H,5-8,12H2,1H3
InChIKeyGHNBOOLMEUYSCD-UHFFFAOYSA-N
XLogP2.33
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
CID 118243122
3-[7-(aminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994380
N-methyl-1-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)methanamine
CID 118243086
2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde
CID 118243094
4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
CID 42635323
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
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-[[4-(fluoromethyl)triazol-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 90038220
3-[7-(methoxyiminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 123269409
3-[7-(2-hydroxy-1-hydroxysulfanylethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994336
ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 168922531
4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922588

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol?
The IUPAC name of [2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol (CID 118243130) is [2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol.
What is the SMILES notation for [2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol?
The canonical SMILES for [2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol is Cc1cccc(-c2nc(N3CCOCC3)c3ncc(CO)cc3n2)c1.
What is the InChIKey of [2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol?
The InChIKey is GHNBOOLMEUYSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/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/h2-4,9-11,24H,5-8,12H2,1H3.
What are the key properties of [2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol?
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol has a molecular weight of 336.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 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]pyrimidin-7-yl]methanol is sourced from PubChem (CID 118243130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).