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

C14H23N7O3S — CID 169003350

IUPAC3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine
SMILESCN1Cc2c(ncnc2N2CCC(C)(CNS(N)(=O)=O)CC2)NC1=O
InChIInChI=1S/C14H23N7O3S/c1-14(8-18-25(15,23)24)3-5-21(6-4-14)12-10-7-20(2)13(22)19-11(10)16-9-17-12/h9,18H,3-8H2,1-2H3,(H2,15,23,24)(H,16,17,19,22)
InChIKeyODCRUGJUXQTSED-UHFFFAOYSA-N
MW369.45 g/mol
LogP-0.15
Rot. Bonds4

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

3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine (PubChem CID 169003350) has the molecular formula C14H23N7O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine
PubChem CID169003350
Molecular FormulaC14H23N7O3S
Molecular Weight369.45 g/mol
Exact Mass369.16
IUPAC Name3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine
SMILESCN1Cc2c(ncnc2N2CCC(C)(CNS(N)(=O)=O)CC2)NC1=O
InChIInChI=1S/C14H23N7O3S/c1-14(8-18-25(15,23)24)3-5-21(6-4-14)12-10-7-20(2)13(22)19-11(10)16-9-17-12/h9,18H,3-8H2,1-2H3,(H2,15,23,24)(H,16,17,19,22)
InChIKeyODCRUGJUXQTSED-UHFFFAOYSA-N
XLogP-0.15
TPSA133.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine?
The IUPAC name of 3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine (CID 169003350) is 3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine.
What is the SMILES notation for 3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine?
The canonical SMILES for 3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine is CN1Cc2c(ncnc2N2CCC(C)(CNS(N)(=O)=O)CC2)NC1=O.
What is the InChIKey of 3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine?
The InChIKey is ODCRUGJUXQTSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O3S/c1-14(8-18-25(15,23)24)3-5-21(6-4-14)12-10-7-20(2)13(22)19-11(10)16-9-17-12/h9,18H,3-8H2,1-2H3,(H2,15,23,24)(H,16,17,19,22).
What are the key properties of 3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine?
3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine has a molecular weight of 369.45 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-methyl-4-[(sulfamoylamino)methyl]piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine is sourced from PubChem (CID 169003350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).