[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone

C14H17N5OS — CID 56755169

IUPAC[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1Cc2cnc(CC(C)C)nc2C1
InChIInChI=1S/C14H17N5OS/c1-8(2)4-12-15-5-10-6-19(7-11(10)16-12)14(20)13-9(3)17-18-21-13/h5,8H,4,6-7H2,1-3H3
InChIKeyQSMOEGUYMRZVGW-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.99
Rot. Bonds3

About [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone

[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 56755169) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID56755169
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1Cc2cnc(CC(C)C)nc2C1
InChIInChI=1S/C14H17N5OS/c1-8(2)4-12-15-5-10-6-19(7-11(10)16-12)14(20)13-9(3)17-18-21-13/h5,8H,4,6-7H2,1-3H3
InChIKeyQSMOEGUYMRZVGW-UHFFFAOYSA-N
XLogP1.99
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone (CID 56755169) is [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1Cc2cnc(CC(C)C)nc2C1.
What is the InChIKey of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is QSMOEGUYMRZVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-8(2)4-12-15-5-10-6-19(7-11(10)16-12)14(20)13-9(3)17-18-21-13/h5,8H,4,6-7H2,1-3H3.
What are the key properties of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone?
[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 56755169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).