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

C13H12Cl2N4O2S — CID 69267948

IUPAC7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1CCN(S(=O)(=O)c1cc(Cl)ccc1Cl)C2
InChIInChI=1S/C13H12Cl2N4O2S/c14-8-1-2-10(15)12(5-8)22(20,21)19-4-3-9-11(6-19)17-7-18-13(9)16/h1-2,5,7H,3-4,6H2,(H2,16,17,18)
InChIKeyWINTXUTZQZUQPP-UHFFFAOYSA-N
MW359.24 g/mol
LogP2.11
Rot. Bonds2

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

7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 69267948) has the molecular formula C13H12Cl2N4O2S and a molecular weight of 359.24 g/mol. Its IUPAC name is 7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID69267948
Molecular FormulaC13H12Cl2N4O2S
Molecular Weight359.24 g/mol
Exact Mass358.01
IUPAC Name7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1CCN(S(=O)(=O)c1cc(Cl)ccc1Cl)C2
InChIInChI=1S/C13H12Cl2N4O2S/c14-8-1-2-10(15)12(5-8)22(20,21)19-4-3-9-11(6-19)17-7-18-13(9)16/h1-2,5,7H,3-4,6H2,(H2,16,17,18)
InChIKeyWINTXUTZQZUQPP-UHFFFAOYSA-N
XLogP2.11
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dichlorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145322
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
7-(1,2-dimethylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 69270539
5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 170511692
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684894
1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 6957242
1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17379420
N-(1-adamantylmethyl)-7-(3,4-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 59160276
N-(1-adamantylmethyl)-7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 59160371
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
(2S)-2-amino-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119265676

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 69267948) is 7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1CCN(S(=O)(=O)c1cc(Cl)ccc1Cl)C2.
What is the InChIKey of 7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is WINTXUTZQZUQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2S/c14-8-1-2-10(15)12(5-8)22(20,21)19-4-3-9-11(6-19)17-7-18-13(9)16/h1-2,5,7H,3-4,6H2,(H2,16,17,18).
What are the key properties of 7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 359.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 69267948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).