4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide

C9H16N6O3S — CID 135489788

IUPAC4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide
SMILESCc1nc(N)c(N2CCN(S(N)(=O)=O)CC2)c(=O)[nH]1
InChIInChI=1S/C9H16N6O3S/c1-6-12-8(10)7(9(16)13-6)14-2-4-15(5-3-14)19(11,17)18/h2-5H2,1H3,(H2,11,17,18)(H3,10,12,13,16)
InChIKeyFGKYKKDSNCTFAR-UHFFFAOYSA-N
MW288.33 g/mol
LogP-2.01
Rot. Bonds2

About 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide

4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide (PubChem CID 135489788) has the molecular formula C9H16N6O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide
PubChem CID135489788
Molecular FormulaC9H16N6O3S
Molecular Weight288.33 g/mol
Exact Mass288.10
IUPAC Name4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide
SMILESCc1nc(N)c(N2CCN(S(N)(=O)=O)CC2)c(=O)[nH]1
InChIInChI=1S/C9H16N6O3S/c1-6-12-8(10)7(9(16)13-6)14-2-4-15(5-3-14)19(11,17)18/h2-5H2,1H3,(H2,11,17,18)(H3,10,12,13,16)
InChIKeyFGKYKKDSNCTFAR-UHFFFAOYSA-N
XLogP-2.01
TPSA138.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide?
The IUPAC name of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide (CID 135489788) is 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide is Cc1nc(N)c(N2CCN(S(N)(=O)=O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide?
The InChIKey is FGKYKKDSNCTFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O3S/c1-6-12-8(10)7(9(16)13-6)14-2-4-15(5-3-14)19(11,17)18/h2-5H2,1H3,(H2,11,17,18)(H3,10,12,13,16).
What are the key properties of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide?
4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of -2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 135489788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).