4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine

C24H26N2O2 — CID 19959342

IUPAC4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine
SMILESCOc1ccc(C(Cc2ccncn2)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H26N2O2/c1-27-23-12-11-19(15-24(23)28-21-9-5-6-10-21)22(18-7-3-2-4-8-18)16-20-13-14-25-17-26-20/h2-4,7-8,11-15,17,21-22H,5-6,9-10,16H2,1H3
InChIKeyHRRDVCOMBKOBDB-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.18
Rot. Bonds7

About 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine

4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine (PubChem CID 19959342) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine.

Molecular Properties

Compound Name4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine
PubChem CID19959342
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine
SMILESCOc1ccc(C(Cc2ccncn2)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H26N2O2/c1-27-23-12-11-19(15-24(23)28-21-9-5-6-10-21)22(18-7-3-2-4-8-18)16-20-13-14-25-17-26-20/h2-4,7-8,11-15,17,21-22H,5-6,9-10,16H2,1H3
InChIKeyHRRDVCOMBKOBDB-UHFFFAOYSA-N
XLogP5.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Diaveridine
CID 21453
Zotiraciclib
CID 16739650
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
CT 1730; GR 259653X
CID 89809670
2,4-Pyrimidinediamine, 5-((4-ethoxy-3-methoxyphenyl)methyl)-
CID 463109
2,4-Pyrimidinediamine, 5-((3-methoxy-4-(phenylmethoxy)phenyl)methyl)-
CID 463124
GW-2580
CID 11617559
2,4-Pyrimidinediamine, 5-((3-methoxy-4-(2-propenyloxy)phenyl)methyl)-
CID 3078601
5-[[4-Methoxy-3-(phenylmethoxy)phenyl]methyl]-2,4-pyrimidinediamine
CID 11450525
5-(3-Ethoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)pyrimidine-2,4-diamine
CID 10365962
5-(4-(Benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-diamine
CID 11046337
2-[5-(3,4-Dimethoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol
CID 4895475

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine?
The IUPAC name of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine (CID 19959342) is 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine.
What is the SMILES notation for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine?
The canonical SMILES for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine is COc1ccc(C(Cc2ccncn2)c2ccccc2)cc1OC1CCCC1.
What is the InChIKey of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine?
The InChIKey is HRRDVCOMBKOBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-27-23-12-11-19(15-24(23)28-21-9-5-6-10-21)22(18-7-3-2-4-8-18)16-20-13-14-25-17-26-20/h2-4,7-8,11-15,17,21-22H,5-6,9-10,16H2,1H3.
What are the key properties of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine?
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine has a molecular weight of 374.48 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyrimidine is sourced from PubChem (CID 19959342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).