4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one

C10H15N3OS — CID 136977220

IUPAC4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCSCC2)nc[nH]1
InChIInChI=1S/C10H15N3OS/c14-10-5-9(12-7-13-10)11-6-8-1-3-15-4-2-8/h5,7-8H,1-4,6H2,(H2,11,12,13,14)
InChIKeyWTEDXZGTECPUSK-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.33
Rot. Bonds3

About 4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one

4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136977220) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136977220
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCSCC2)nc[nH]1
InChIInChI=1S/C10H15N3OS/c14-10-5-9(12-7-13-10)11-6-8-1-3-15-4-2-8/h5,7-8H,1-4,6H2,(H2,11,12,13,14)
InChIKeyWTEDXZGTECPUSK-UHFFFAOYSA-N
XLogP1.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762590
4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762598
4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762618
4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136823716
4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one
CID 136896825
4-[(1-oxothian-4-yl)amino]-1H-pyrimidin-6-one
CID 136957193
4-[4-(aminomethyl)-4-methylsulfanylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136972894
4-(3-methylsulfanylpropylamino)-1H-pyrimidin-6-one
CID 136975802
4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
CID 136975812
4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136976462
4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136976470
4-[(2-methylthiolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976499

Frequently Asked Questions

What is the IUPAC name of 4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one (CID 136977220) is 4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one is O=c1cc(NCC2CCSCC2)nc[nH]1.
What is the InChIKey of 4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is WTEDXZGTECPUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-10-5-9(12-7-13-10)11-6-8-1-3-15-4-2-8/h5,7-8H,1-4,6H2,(H2,11,12,13,14).
What are the key properties of 4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one?
4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 225.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136977220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).