4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one

C9H15N3OS — CID 136977088

IUPAC4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCSCCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3OS/c1-7(3-4-14-2)12-8-5-9(13)11-6-10-8/h5-7H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyHNXYNLGRXPPYIH-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.32
Rot. Bonds5

About 4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one

4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136977088) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136977088
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCSCCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3OS/c1-7(3-4-14-2)12-8-5-9(13)11-6-10-8/h5-7H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyHNXYNLGRXPPYIH-UHFFFAOYSA-N
XLogP1.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Pentylsulfanylpyrimidin-4(3h)-one
CID 129768382
4-(butylamino)-5-methylsulfanyl-1H-pyrimidin-6-one
CID 173528036
2-[3-(methylamino)butan-2-ylsulfanyl]-1H-pyrimidin-6-one
CID 64610756
2-[3-(methylamino)butylsulfanyl]-1H-pyrimidin-6-one
CID 64610955
2-[2-(methylamino)butylsulfanyl]-1H-pyrimidin-6-one
CID 64611133
2-[2-(methylamino)propylsulfanyl]-1H-pyrimidin-6-one
CID 64611744
4-amino-2-[3-(propan-2-ylamino)propylsulfanyl]-1H-pyrimidin-6-one
CID 135974744
4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723623
5-iodo-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726595
4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726596
2-methyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726598
4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730582

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one (CID 136977088) is 4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one is CSCCC(C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is HNXYNLGRXPPYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7(3-4-14-2)12-8-5-9(13)11-6-10-8/h5-7H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one?
4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 213.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylbutan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136977088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).