3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride

C14H24ClN7O3S — CID 169003402

IUPAC3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride
SMILESCN1Cc2c(ncnc2N2CCC(CCNS(N)(=O)=O)CC2)NC1=O.Cl
InChIInChI=1S/C14H23N7O3S.ClH/c1-20-8-11-12(19-14(20)22)16-9-17-13(11)21-6-3-10(4-7-21)2-5-18-25(15,23)24;/h9-10,18H,2-8H2,1H3,(H2,15,23,24)(H,16,17,19,22);1H
InChIKeyYYLTVRWDKDOEPK-UHFFFAOYSA-N
MW405.91 g/mol
LogP0.28
Rot. Bonds5

About 3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride

3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride (PubChem CID 169003402) has the molecular formula C14H24ClN7O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride
PubChem CID169003402
Molecular FormulaC14H24ClN7O3S
Molecular Weight405.91 g/mol
Exact Mass405.13
IUPAC Name3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride
SMILESCN1Cc2c(ncnc2N2CCC(CCNS(N)(=O)=O)CC2)NC1=O.Cl
InChIInChI=1S/C14H23N7O3S.ClH/c1-20-8-11-12(19-14(20)22)16-9-17-13(11)21-6-3-10(4-7-21)2-5-18-25(15,23)24;/h9-10,18H,2-8H2,1H3,(H2,15,23,24)(H,16,17,19,22);1H
InChIKeyYYLTVRWDKDOEPK-UHFFFAOYSA-N
XLogP0.28
TPSA133.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride
CID 169003349
3-Methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride
CID 169003371
1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride
CID 169003395
3-Methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride
CID 169003446
3-Methyl-2-oxo-5-[4-(sulfamoylamino)piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride
CID 169003459
3-Methyl-5-[4-methyl-4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride
CID 169003483
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
3-Methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine
CID 169003350
3-Methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine
CID 169003372
1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine
CID 169003396
3-Methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine
CID 169003403
3-Methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine
CID 169003447

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride?
The IUPAC name of 3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride (CID 169003402) is 3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride.
What is the SMILES notation for 3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride?
The canonical SMILES for 3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride is CN1Cc2c(ncnc2N2CCC(CCNS(N)(=O)=O)CC2)NC1=O.Cl.
What is the InChIKey of 3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride?
The InChIKey is YYLTVRWDKDOEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O3S.ClH/c1-20-8-11-12(19-14(20)22)16-9-17-13(11)21-6-3-10(4-7-21)2-5-18-25(15,23)24;/h9-10,18H,2-8H2,1H3,(H2,15,23,24)(H,16,17,19,22);1H.
What are the key properties of 3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride?
3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride has a molecular weight of 405.91 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride is sourced from PubChem (CID 169003402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).