4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one

C11H19N3OS — CID 136762590

IUPAC4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)(CNc1cc(=O)[nH]cn1)SC
InChIInChI=1S/C11H19N3OS/c1-4-11(5-2,16-3)7-12-9-6-10(15)14-8-13-9/h6,8H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyHZWVODMOFKILOD-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.10
Rot. Bonds6

About 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one

4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136762590) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136762590
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)(CNc1cc(=O)[nH]cn1)SC
InChIInChI=1S/C11H19N3OS/c1-4-11(5-2,16-3)7-12-9-6-10(15)14-8-13-9/h6,8H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyHZWVODMOFKILOD-UHFFFAOYSA-N
XLogP2.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butylamino)-5-methylsulfanyl-1H-pyrimidin-6-one
CID 173528036
4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723623
4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750479
4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762580
5-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762584
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136762585
5-chloro-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762586
2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762587
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136762588
5-bromo-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762591
4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762598
4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136762607

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one (CID 136762590) is 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one is CCC(CC)(CNc1cc(=O)[nH]cn1)SC.
What is the InChIKey of 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HZWVODMOFKILOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-11(5-2,16-3)7-12-9-6-10(15)14-8-13-9/h6,8H,4-5,7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one?
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 241.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).