2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one

C10H15N3OS — CID 136823713

IUPAC2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCSC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3OS/c1-7-12-9(4-10(14)13-7)11-5-8-2-3-15-6-8/h4,8H,2-3,5-6H2,1H3,(H2,11,12,13,14)
InChIKeyBWRUSXDRBQSOHN-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.24
Rot. Bonds3

About 2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one

2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136823713) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136823713
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCSC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3OS/c1-7-12-9(4-10(14)13-7)11-5-8-2-3-15-6-8/h4,8H,2-3,5-6H2,1H3,(H2,11,12,13,14)
InChIKeyBWRUSXDRBQSOHN-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136823713) is 2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one is Cc1nc(NCC2CCSC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is BWRUSXDRBQSOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-12-9(4-10(14)13-7)11-5-8-2-3-15-6-8/h4,8H,2-3,5-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one?
2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 225.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136823713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).