(R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol

C19H17ClN2O2S — CID 118647678

IUPAC(R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol
SMILESCc1sc([C@H](O)c2cncnc2Cl)cc1[C@@H]1OCCc2ccccc21
InChIInChI=1S/C19H17ClN2O2S/c1-11-14(18-13-5-3-2-4-12(13)6-7-24-18)8-16(25-11)17(23)15-9-21-10-22-19(15)20/h2-5,8-10,17-18,23H,6-7H2,1H3/t17-,18-/m1/s1
InChIKeyWRLAYGSKQVMDRW-QZTJIDSGSA-N
MW372.88 g/mol
LogP4.24
Rot. Bonds3

About (R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol

(R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol (PubChem CID 118647678) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is (R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol.

Molecular Properties

Compound Name(R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol
PubChem CID118647678
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name(R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol
SMILESCc1sc([C@H](O)c2cncnc2Cl)cc1[C@@H]1OCCc2ccccc21
InChIInChI=1S/C19H17ClN2O2S/c1-11-14(18-13-5-3-2-4-12(13)6-7-24-18)8-16(25-11)17(23)15-9-21-10-22-19(15)20/h2-5,8-10,17-18,23H,6-7H2,1H3/t17-,18-/m1/s1
InChIKeyWRLAYGSKQVMDRW-QZTJIDSGSA-N
XLogP4.24
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol?
The IUPAC name of (R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol (CID 118647678) is (R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol.
What is the SMILES notation for (R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol?
The canonical SMILES for (R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol is Cc1sc([C@H](O)c2cncnc2Cl)cc1[C@@H]1OCCc2ccccc21.
What is the InChIKey of (R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol?
The InChIKey is WRLAYGSKQVMDRW-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-11-14(18-13-5-3-2-4-12(13)6-7-24-18)8-16(25-11)17(23)15-9-21-10-22-19(15)20/h2-5,8-10,17-18,23H,6-7H2,1H3/t17-,18-/m1/s1.
What are the key properties of (R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol?
(R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol has a molecular weight of 372.88 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chloropyrimidin-5-yl)-[4-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]methanol is sourced from PubChem (CID 118647678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).