6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine

C14H18N4S — CID 66209822

IUPAC6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CC4CNCC4C3C)ncnc2s1
InChIInChI=1S/C14H18N4S/c1-8-3-11-13(16-7-17-14(11)19-8)18-6-10-4-15-5-12(10)9(18)2/h3,7,9-10,12,15H,4-6H2,1-2H3
InChIKeySVQHBWCOYWEVEK-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.04
Rot. Bonds1

About 6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine

6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine (PubChem CID 66209822) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine
PubChem CID66209822
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CC4CNCC4C3C)ncnc2s1
InChIInChI=1S/C14H18N4S/c1-8-3-11-13(16-7-17-14(11)19-8)18-6-10-4-15-5-12(10)9(18)2/h3,7,9-10,12,15H,4-6H2,1-2H3
InChIKeySVQHBWCOYWEVEK-UHFFFAOYSA-N
XLogP2.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine (CID 66209822) is 6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine is Cc1cc2c(N3CC4CNCC4C3C)ncnc2s1.
What is the InChIKey of 6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine?
The InChIKey is SVQHBWCOYWEVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-8-3-11-13(16-7-17-14(11)19-8)18-6-10-4-15-5-12(10)9(18)2/h3,7,9-10,12,15H,4-6H2,1-2H3.
What are the key properties of 6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine?
6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine has a molecular weight of 274.39 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 66209822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).