8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride

C15H24ClN7O3S — CID 171356369

IUPAC8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride
SMILESCN1Cc2c(ncnc2N2CCC3(CC2)CCN(S(N)(=O)=O)C3)NC1=O.Cl
InChIInChI=1S/C15H23N7O3S.ClH/c1-20-8-11-12(19-14(20)23)17-10-18-13(11)21-5-2-15(3-6-21)4-7-22(9-15)26(16,24)25;/h10H,2-9H2,1H3,(H2,16,24,25)(H,17,18,19,23);1H
InChIKeyPZIFPOLVUWJLDH-UHFFFAOYSA-N
MW417.92 g/mol
LogP0.37
Rot. Bonds2

About 8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride

8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride (PubChem CID 171356369) has the molecular formula C15H24ClN7O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride
PubChem CID171356369
Molecular FormulaC15H24ClN7O3S
Molecular Weight417.92 g/mol
Exact Mass417.13
IUPAC Name8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride
SMILESCN1Cc2c(ncnc2N2CCC3(CC2)CCN(S(N)(=O)=O)C3)NC1=O.Cl
InChIInChI=1S/C15H23N7O3S.ClH/c1-20-8-11-12(19-14(20)23)17-10-18-13(11)21-5-2-15(3-6-21)4-7-22(9-15)26(16,24)25;/h10H,2-9H2,1H3,(H2,16,24,25)(H,17,18,19,23);1H
InChIKeyPZIFPOLVUWJLDH-UHFFFAOYSA-N
XLogP0.37
TPSA124.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride?
The IUPAC name of 8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride (CID 171356369) is 8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride.
What is the SMILES notation for 8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride?
The canonical SMILES for 8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride is CN1Cc2c(ncnc2N2CCC3(CC2)CCN(S(N)(=O)=O)C3)NC1=O.Cl.
What is the InChIKey of 8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride?
The InChIKey is PZIFPOLVUWJLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O3S.ClH/c1-20-8-11-12(19-14(20)23)17-10-18-13(11)21-5-2-15(3-6-21)4-7-22(9-15)26(16,24)25;/h10H,2-9H2,1H3,(H2,16,24,25)(H,17,18,19,23);1H.
What are the key properties of 8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride?
8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride has a molecular weight of 417.92 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;hydrochloride is sourced from PubChem (CID 171356369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).