2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide

C15H19N5O3S2 — CID 56917443

IUPAC2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)c1sccc1S(N)(=O)=O)C2
InChIInChI=1S/C15H19N5O3S2/c1-9-17-11-8-20(6-4-10(11)14(18-9)19(2)3)15(21)13-12(5-7-24-13)25(16,22)23/h5,7H,4,6,8H2,1-3H3,(H2,16,22,23)
InChIKeyLETJNVDJSUHYBX-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.76
Rot. Bonds3

About 2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide

2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide (PubChem CID 56917443) has the molecular formula C15H19N5O3S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide
PubChem CID56917443
Molecular FormulaC15H19N5O3S2
Molecular Weight381.48 g/mol
Exact Mass381.09
IUPAC Name2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)c1sccc1S(N)(=O)=O)C2
InChIInChI=1S/C15H19N5O3S2/c1-9-17-11-8-20(6-4-10(11)14(18-9)19(2)3)15(21)13-12(5-7-24-13)25(16,22)23/h5,7H,4,6,8H2,1-3H3,(H2,16,22,23)
InChIKeyLETJNVDJSUHYBX-UHFFFAOYSA-N
XLogP0.76
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide with MolForge

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Related Compounds

[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 56861916
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 118780550
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone
CID 118762273
N-[(2R)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 95477022
(4-tert-butylphenyl)-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7283355
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 56870475
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 56884983
(4-chlorophenyl)-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 4273923
[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-phenylphenyl)methanone
CID 7271526
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone
CID 56897085
1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 56879087
(3,5-dichlorophenyl)-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7362629

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide?
The IUPAC name of 2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide (CID 56917443) is 2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide is Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1sccc1S(N)(=O)=O)C2.
What is the InChIKey of 2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide?
The InChIKey is LETJNVDJSUHYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S2/c1-9-17-11-8-20(6-4-10(11)14(18-9)19(2)3)15(21)13-12(5-7-24-13)25(16,22)23/h5,7H,4,6,8H2,1-3H3,(H2,16,22,23).
What are the key properties of 2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide?
2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide has a molecular weight of 381.48 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide is sourced from PubChem (CID 56917443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).