2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one

C11H15N7OS — CID 80893711

IUPAC2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
SMILESCCNc1nc(Sc2nccc(=O)[nH]2)nc(N(C)C)n1
InChIInChI=1S/C11H15N7OS/c1-4-12-8-15-9(18(2)3)17-11(16-8)20-10-13-6-5-7(19)14-10/h5-6H,4H2,1-3H3,(H,13,14,19)(H,12,15,16,17)
InChIKeyPCEIXGCXTAHWNL-UHFFFAOYSA-N
MW293.36 g/mol
LogP0.60
Rot. Bonds5

About 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one

2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one (PubChem CID 80893711) has the molecular formula C11H15N7OS and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
PubChem CID80893711
Molecular FormulaC11H15N7OS
Molecular Weight293.36 g/mol
Exact Mass293.11
IUPAC Name2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
SMILESCCNc1nc(Sc2nccc(=O)[nH]2)nc(N(C)C)n1
InChIInChI=1S/C11H15N7OS/c1-4-12-8-15-9(18(2)3)17-11(16-8)20-10-13-6-5-7(19)14-10/h5-6H,4H2,1-3H3,(H,13,14,19)(H,12,15,16,17)
InChIKeyPCEIXGCXTAHWNL-UHFFFAOYSA-N
XLogP0.60
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893473
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80893393
2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893235
2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 103334011
2-[6-(ethylamino)pyrazin-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 80892748
2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893952
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 102761278
2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888456
2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887509
2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80873934
2-(4-aminopyrimidin-2-yl)sulfanyl-1H-pyrimidin-6-one
CID 116798194
2-[2-(ethylamino)ethylsulfanyl]-1H-pyrimidin-6-one
CID 61385767

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one (CID 80893711) is 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one is CCNc1nc(Sc2nccc(=O)[nH]2)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one?
The InChIKey is PCEIXGCXTAHWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7OS/c1-4-12-8-15-9(18(2)3)17-11(16-8)20-10-13-6-5-7(19)14-10/h5-6H,4H2,1-3H3,(H,13,14,19)(H,12,15,16,17).
What are the key properties of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one?
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one has a molecular weight of 293.36 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 80893711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).