(2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol

C15H19N3OS — CID 163343509

IUPAC(2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol
SMILESOCC12CCCCC1CN(c1ncnc3ccsc13)C2
InChIInChI=1S/C15H19N3OS/c19-9-15-5-2-1-3-11(15)7-18(8-15)14-13-12(4-6-20-13)16-10-17-14/h4,6,10-11,19H,1-3,5,7-9H2
InChIKeySQDCDMDKZHWMBM-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.68
Rot. Bonds2

About (2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol

(2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol (PubChem CID 163343509) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol.

Molecular Properties

Compound Name(2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol
PubChem CID163343509
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol
SMILESOCC12CCCCC1CN(c1ncnc3ccsc13)C2
InChIInChI=1S/C15H19N3OS/c19-9-15-5-2-1-3-11(15)7-18(8-15)14-13-12(4-6-20-13)16-10-17-14/h4,6,10-11,19H,1-3,5,7-9H2
InChIKeySQDCDMDKZHWMBM-UHFFFAOYSA-N
XLogP2.68
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-fluoropyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol
CID 163343399
[2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol
CID 163343428
[2-(5-fluoro-6-phenylpyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
CID 155974594
4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783787
4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783789
[2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol
CID 163343411
4-(oxan-2-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid
CID 56872373
2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
CID 2807675
1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
CID 146077996
N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine
CID 62585668
3-ethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63147377
4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine
CID 55091235

Frequently Asked Questions

What is the IUPAC name of (2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol?
The IUPAC name of (2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol (CID 163343509) is (2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol.
What is the SMILES notation for (2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol?
The canonical SMILES for (2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol is OCC12CCCCC1CN(c1ncnc3ccsc13)C2.
What is the InChIKey of (2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol?
The InChIKey is SQDCDMDKZHWMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-9-15-5-2-1-3-11(15)7-18(8-15)14-13-12(4-6-20-13)16-10-17-14/h4,6,10-11,19H,1-3,5,7-9H2.
What are the key properties of (2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol?
(2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol has a molecular weight of 289.40 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol is sourced from PubChem (CID 163343509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).