2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole

C10H11N5S — CID 176625915

IUPAC2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole
SMILESCN1CCc2cnc(-c3nncs3)nc2C1
InChIInChI=1S/C10H11N5S/c1-15-3-2-7-4-11-9(13-8(7)5-15)10-14-12-6-16-10/h4,6H,2-3,5H2,1H3
InChIKeyARORADINSUGWSR-UHFFFAOYSA-N
MW233.30 g/mol
LogP0.98
Rot. Bonds1

About 2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole

2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole (PubChem CID 176625915) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole
PubChem CID176625915
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole
SMILESCN1CCc2cnc(-c3nncs3)nc2C1
InChIInChI=1S/C10H11N5S/c1-15-3-2-7-4-11-9(13-8(7)5-15)10-14-12-6-16-10/h4,6H,2-3,5H2,1H3
InChIKeyARORADINSUGWSR-UHFFFAOYSA-N
XLogP0.98
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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CID 133508817
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CID 92425088
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CID 132097479
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CID 166740273
CID 166740273

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole (CID 176625915) is 2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole is CN1CCc2cnc(-c3nncs3)nc2C1.
What is the InChIKey of 2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole?
The InChIKey is ARORADINSUGWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-15-3-2-7-4-11-9(13-8(7)5-15)10-14-12-6-16-10/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole?
2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole has a molecular weight of 233.30 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 176625915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).