4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C19H16N2O — CID 134086932

IUPAC4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(Oc2nc(-c3ccccc3)nc3c2CCC3)cc1
InChIInChI=1S/C19H16N2O/c1-3-8-14(9-4-1)18-20-17-13-7-12-16(17)19(21-18)22-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyDUSADCSMGYIIEN-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.42
Rot. Bonds3

About 4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 134086932) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID134086932
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(Oc2nc(-c3ccccc3)nc3c2CCC3)cc1
InChIInChI=1S/C19H16N2O/c1-3-8-14(9-4-1)18-20-17-13-7-12-16(17)19(21-18)22-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyDUSADCSMGYIIEN-UHFFFAOYSA-N
XLogP4.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 6426041
4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde
CID 88772086
4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 133376807
2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-5,6,7,8-tetrahydroquinazoline
CID 118723359
2-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191758
4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037090
2-phenyl-4-propylsulfanyl-5,6,7,8-tetrahydroquinazoline
CID 15994077
4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 10868375
2-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107105157
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone
CID 54328420
2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050379
2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62500115

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 134086932) is 4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1ccc(Oc2nc(-c3ccccc3)nc3c2CCC3)cc1.
What is the InChIKey of 4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is DUSADCSMGYIIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-3-8-14(9-4-1)18-20-17-13-7-12-16(17)19(21-18)22-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 288.35 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 134086932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).