5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one

C10H15N3O2S — CID 136976469

IUPAC5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCCS2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2S/c1-15-8-9(12-6-13-10(8)14)11-5-7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyRZQIHUMKKBEDBV-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.09
Rot. Bonds4

About 5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one

5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136976469) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136976469
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCCS2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2S/c1-15-8-9(12-6-13-10(8)14)11-5-7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyRZQIHUMKKBEDBV-UHFFFAOYSA-N
XLogP1.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one (CID 136976469) is 5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one is COc1c(NCC2CCCS2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is RZQIHUMKKBEDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-8-9(12-6-13-10(8)14)11-5-7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one?
5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 241.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(thiolan-2-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).