3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol

C21H22N2O2 — CID 70978343

IUPAC3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol
SMILESOC1=C(O)N=C(c2ccc(-c3ccccc3)cc2)N(C2CCCC2)C1
InChIInChI=1S/C21H22N2O2/c24-19-14-23(18-8-4-5-9-18)20(22-21(19)25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-13,18,24-25H,4-5,8-9,14H2
InChIKeyYLJUHRUWQVMOKM-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.64
Rot. Bonds3

About 3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol

3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol (PubChem CID 70978343) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol
PubChem CID70978343
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol
SMILESOC1=C(O)N=C(c2ccc(-c3ccccc3)cc2)N(C2CCCC2)C1
InChIInChI=1S/C21H22N2O2/c24-19-14-23(18-8-4-5-9-18)20(22-21(19)25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-13,18,24-25H,4-5,8-9,14H2
InChIKeyYLJUHRUWQVMOKM-UHFFFAOYSA-N
XLogP4.64
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol?
The IUPAC name of 3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol (CID 70978343) is 3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol.
What is the SMILES notation for 3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol?
The canonical SMILES for 3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol is OC1=C(O)N=C(c2ccc(-c3ccccc3)cc2)N(C2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol?
The InChIKey is YLJUHRUWQVMOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-19-14-23(18-8-4-5-9-18)20(22-21(19)25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-13,18,24-25H,4-5,8-9,14H2.
What are the key properties of 3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol?
3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol has a molecular weight of 334.42 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-phenylphenyl)-4H-pyrimidine-5,6-diol is sourced from PubChem (CID 70978343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).