5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine

C17H14Cl2N2OS — CID 129253784

IUPAC5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine
SMILESCOC(c1cc(Cc2ccccc2)c(Cl)s1)c1cncnc1Cl
InChIInChI=1S/C17H14Cl2N2OS/c1-22-15(13-9-20-10-21-16(13)18)14-8-12(17(19)23-14)7-11-5-3-2-4-6-11/h2-6,8-10,15H,7H2,1H3
InChIKeyRCTPPITYBJFPLZ-UHFFFAOYSA-N
MW365.29 g/mol
LogP5.17
Rot. Bonds5

About 5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine

5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine (PubChem CID 129253784) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is 5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine.

Molecular Properties

Compound Name5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine
PubChem CID129253784
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC Name5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine
SMILESCOC(c1cc(Cc2ccccc2)c(Cl)s1)c1cncnc1Cl
InChIInChI=1S/C17H14Cl2N2OS/c1-22-15(13-9-20-10-21-16(13)18)14-8-12(17(19)23-14)7-11-5-3-2-4-6-11/h2-6,8-10,15H,7H2,1H3
InChIKeyRCTPPITYBJFPLZ-UHFFFAOYSA-N
XLogP5.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-5-[[4-methyl-5-(phenylmethoxymethyl)thiophen-3-yl]methyl]pyrimidin-4-amine
CID 145980821
(4-Chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol
CID 56679454
Phenyl-pyrimidin-5-yl-thiophen-2-yl-methanol
CID 13813665
N-[(4-chlorophenyl)methyl]-5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 57818514
2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 57818595
2-[(3-chlorophenyl)methoxy]-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 57818609
2-[(4-chlorophenyl)methoxy]-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 57818923
2-[(2-chlorophenyl)methoxy]-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 57819171
2-[(3,5-dichlorophenyl)methoxy]-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 57819287
4-(2-Chloro-4-methylthiophen-3-yl)-5-(4-chlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine
CID 69199266
4-(2-Chloro-4-methylthiophen-3-yl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine
CID 69199679
methanimidoyl 3-[5-(5-amino-8,8-difluoro-7H-pyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzenecarboximidate
CID 138546383

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine?
The IUPAC name of 5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine (CID 129253784) is 5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine.
What is the SMILES notation for 5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine?
The canonical SMILES for 5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine is COC(c1cc(Cc2ccccc2)c(Cl)s1)c1cncnc1Cl.
What is the InChIKey of 5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine?
The InChIKey is RCTPPITYBJFPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c1-22-15(13-9-20-10-21-16(13)18)14-8-12(17(19)23-14)7-11-5-3-2-4-6-11/h2-6,8-10,15H,7H2,1H3.
What are the key properties of 5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine?
5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine has a molecular weight of 365.29 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzyl-5-chlorothiophen-2-yl)-methoxymethyl]-4-chloropyrimidine is sourced from PubChem (CID 129253784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).