4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine

C17H18N4O — CID 42635323

IUPAC4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1cccc(-c2nc(N3CCOCC3)c3[nH]ccc3n2)c1
InChIInChI=1S/C17H18N4O/c1-12-3-2-4-13(11-12)16-19-14-5-6-18-15(14)17(20-16)21-7-9-22-10-8-21/h2-6,11,18H,7-10H2,1H3
InChIKeyQCZLVMRYXDKNES-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.77
Rot. Bonds2

About 4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 42635323) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID42635323
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1cccc(-c2nc(N3CCOCC3)c3[nH]ccc3n2)c1
InChIInChI=1S/C17H18N4O/c1-12-3-2-4-13(11-12)16-19-14-5-6-18-15(14)17(20-16)21-7-9-22-10-8-21/h2-6,11,18H,7-10H2,1H3
InChIKeyQCZLVMRYXDKNES-UHFFFAOYSA-N
XLogP2.77
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one
CID 42633907
4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922588
3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
CID 42632987
3-(6-morpholin-4-yl-7H-purin-2-yl)benzonitrile
CID 46225308
4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine
CID 46225260
2-(3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)quinazoline
CID 4614039
N-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 146621475
4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 154618052
3-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenol
CID 89120666
4-morpholin-4-yl-2-phenylquinazolin-6-ol
CID 3100191

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine (CID 42635323) is 4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine is Cc1cccc(-c2nc(N3CCOCC3)c3[nH]ccc3n2)c1.
What is the InChIKey of 4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is QCZLVMRYXDKNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-3-2-4-13(11-12)16-19-14-5-6-18-15(14)17(20-16)21-7-9-22-10-8-21/h2-6,11,18H,7-10H2,1H3.
What are the key properties of 4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 294.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 42635323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).