1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione

C11H8N2OS — CID 155926286

IUPAC1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione
SMILESS=c1ncc2c([nH]1)-c1ccccc1OC2
InChIInChI=1S/C11H8N2OS/c15-11-12-5-7-6-14-9-4-2-1-3-8(9)10(7)13-11/h1-5H,6H2,(H,12,13,15)
InChIKeyBQMYTTZJBKHWMH-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.70
Rot. Bonds

About 1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione

1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione (PubChem CID 155926286) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione
PubChem CID155926286
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione
SMILESS=c1ncc2c([nH]1)-c1ccccc1OC2
InChIInChI=1S/C11H8N2OS/c15-11-12-5-7-6-14-9-4-2-1-3-8(9)10(7)13-11/h1-5H,6H2,(H,12,13,15)
InChIKeyBQMYTTZJBKHWMH-UHFFFAOYSA-N
XLogP2.70
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)pyrimidine-2-thiol
CID 2821223
4-(4-Methoxyphenyl)-2-pyrimidinethiol
CID 2736768
6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione
CID 2821359
(3,4-dihydro-2H-1-benzopyran-4-yl)thiourea
CID 54595318
2-Hydroxy-4-(2-methoxyphenyl)pyrimidine
CID 45787607
8-Methoxy-5,6-dihydrobenzo(h)quinazolin-2-yl hydrosulfide
CID 3003825
5-Hydroxy-7,9-dimethyl-1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione
CID 10934215
Chromeno[2,3-d]pyrimidine-dithione
CID 129884745
2-(2-ethoxyphenyl)-8-(4-fluorophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23827033
6-[(4-chloro-6-fluoro-2H-chromen-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24909652
6-[[2-(Difluoromethoxy)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24929332
6-[(2-Fluoro-6-methoxyphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24929584

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione?
The IUPAC name of 1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione (CID 155926286) is 1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione.
What is the SMILES notation for 1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione?
The canonical SMILES for 1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione is S=c1ncc2c([nH]1)-c1ccccc1OC2.
What is the InChIKey of 1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione?
The InChIKey is BQMYTTZJBKHWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c15-11-12-5-7-6-14-9-4-2-1-3-8(9)10(7)13-11/h1-5H,6H2,(H,12,13,15).
What are the key properties of 1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione?
1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione has a molecular weight of 216.27 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydrochromeno[4,3-d]pyrimidine-2-thione is sourced from PubChem (CID 155926286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).