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

C12H16N6O2S — CID 69270539

IUPAC7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(S(=O)(=O)N2CCc3c(N)ncnc3C2)cn1C
InChIInChI=1S/C12H16N6O2S/c1-8-16-11(6-17(8)2)21(19,20)18-4-3-9-10(5-18)14-7-15-12(9)13/h6-7H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyDFCYANFMDIWPCL-UHFFFAOYSA-N
MW308.37 g/mol
LogP-0.15
Rot. Bonds2

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

7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 69270539) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID69270539
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(S(=O)(=O)N2CCc3c(N)ncnc3C2)cn1C
InChIInChI=1S/C12H16N6O2S/c1-8-16-11(6-17(8)2)21(19,20)18-4-3-9-10(5-18)14-7-15-12(9)13/h6-7H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyDFCYANFMDIWPCL-UHFFFAOYSA-N
XLogP-0.15
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 69270539) is 7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is Cc1nc(S(=O)(=O)N2CCc3c(N)ncnc3C2)cn1C.
What is the InChIKey of 7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is DFCYANFMDIWPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-8-16-11(6-17(8)2)21(19,20)18-4-3-9-10(5-18)14-7-15-12(9)13/h6-7H,3-5H2,1-2H3,(H2,13,14,15).
What are the key properties of 7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 308.37 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 69270539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).