1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol

C26H26N2O2S — CID 59607533

IUPAC1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
SMILESCC(C)Oc1ccccc1-c1ccc(-c2ccnc(Cc3cccc(C(C)O)c3)n2)s1
InChIInChI=1S/C26H26N2O2S/c1-17(2)30-23-10-5-4-9-21(23)24-11-12-25(31-24)22-13-14-27-26(28-22)16-19-7-6-8-20(15-19)18(3)29/h4-15,17-18,29H,16H2,1-3H3
InChIKeyQJSVUDHOSJSPQV-UHFFFAOYSA-N
MW430.57 g/mol
LogP6.30
Rot. Bonds7

About 1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol

1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol (PubChem CID 59607533) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
PubChem CID59607533
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
SMILESCC(C)Oc1ccccc1-c1ccc(-c2ccnc(Cc3cccc(C(C)O)c3)n2)s1
InChIInChI=1S/C26H26N2O2S/c1-17(2)30-23-10-5-4-9-21(23)24-11-12-25(31-24)22-13-14-27-26(28-22)16-19-7-6-8-20(15-19)18(3)29/h4-15,17-18,29H,16H2,1-3H3
InChIKeyQJSVUDHOSJSPQV-UHFFFAOYSA-N
XLogP6.30
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol with MolForge

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Related Compounds

(9E)-15-(2-methoxyethoxy)-12-methyl-7-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene
CID 16739921
4-(5-(3-Methoxybenzyl)-3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
CID 24740244
Methyl 2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}propanoate
CID 2767750
4-(5-(4-Methoxybenzyl)-3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
CID 24878397
4-(5-(2-Methoxybenzyl)-3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
CID 24878508
2-[(2-Methoxyphenyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)guanidine
CID 49830644
N2-(2-Methylpropyl)-N4-[[5-[4-(phenylmethoxy)phenyl]-2-thienyl]methyl]-2,4-pyrimidinediamine
CID 141726736
4-(4-Methoxyphenyl)-2-thiophen-2-ylpyrimidine
CID 2810256
cis-3-[6-({[2-(2-Methoxyphenyl)-1,3-thiazol-5-yl]methyl}amino)pyrimidin-4-yl]cyclobutanol
CID 91782557
Pyrimidine, 2-(4-methoxyphenyl)-4-(2-thienyl)-
CID 11369196
(4-Fluoro-5-propyl-thiophen-2-yl)methyl 4-(5-undecyl-pyrimidin-2-yl)phenyl ether
CID 22134211
2-Ethoxy-3-[4-[2-[5-[4-(trifluoromethyl)pyrimidin-2-yl]thiophen-2-yl]ethoxy]phenyl]propanoic acid
CID 42601924

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol?
The IUPAC name of 1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol (CID 59607533) is 1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol?
The canonical SMILES for 1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol is CC(C)Oc1ccccc1-c1ccc(-c2ccnc(Cc3cccc(C(C)O)c3)n2)s1.
What is the InChIKey of 1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol?
The InChIKey is QJSVUDHOSJSPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-17(2)30-23-10-5-4-9-21(23)24-11-12-25(31-24)22-13-14-27-26(28-22)16-19-7-6-8-20(15-19)18(3)29/h4-15,17-18,29H,16H2,1-3H3.
What are the key properties of 1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol?
1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol has a molecular weight of 430.57 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[5-(2-propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 59607533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).