1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine

C15H25N7O3S — CID 169003396

IUPAC1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine
SMILESCN1Cc2c(N3CCC(CCNS(N)(=O)=O)CC3)ncnc2N(C)C1=O
InChIInChI=1S/C15H25N7O3S/c1-20-9-12-13(21(2)15(20)23)17-10-18-14(12)22-7-4-11(5-8-22)3-6-19-26(16,24)25/h10-11,19H,3-9H2,1-2H3,(H2,16,24,25)
InChIKeySMTGWZANNHNVQH-UHFFFAOYSA-N
MW383.48 g/mol
LogP-0.12
Rot. Bonds5

About 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine

1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine (PubChem CID 169003396) has the molecular formula C15H25N7O3S and a molecular weight of 383.48 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine
PubChem CID169003396
Molecular FormulaC15H25N7O3S
Molecular Weight383.48 g/mol
Exact Mass383.17
IUPAC Name1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine
SMILESCN1Cc2c(N3CCC(CCNS(N)(=O)=O)CC3)ncnc2N(C)C1=O
InChIInChI=1S/C15H25N7O3S/c1-20-9-12-13(21(2)15(20)23)17-10-18-14(12)22-7-4-11(5-8-22)3-6-19-26(16,24)25/h10-11,19H,3-9H2,1-2H3,(H2,16,24,25)
InChIKeySMTGWZANNHNVQH-UHFFFAOYSA-N
XLogP-0.12
TPSA124.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine?
The IUPAC name of 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine (CID 169003396) is 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine.
What is the SMILES notation for 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine?
The canonical SMILES for 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine is CN1Cc2c(N3CCC(CCNS(N)(=O)=O)CC3)ncnc2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine?
The InChIKey is SMTGWZANNHNVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O3S/c1-20-9-12-13(21(2)15(20)23)17-10-18-14(12)22-7-4-11(5-8-22)3-6-19-26(16,24)25/h10-11,19H,3-9H2,1-2H3,(H2,16,24,25).
What are the key properties of 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine?
1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine has a molecular weight of 383.48 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine is sourced from PubChem (CID 169003396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).