4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one

C10H15N3OS — CID 136976470

IUPAC4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCCCS2)nc[nH]1
InChIInChI=1S/C10H15N3OS/c14-10-5-9(12-7-13-10)11-6-8-3-1-2-4-15-8/h5,7-8H,1-4,6H2,(H2,11,12,13,14)
InChIKeyRWKDVWVANIZHCB-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.47
Rot. Bonds3

About 4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one

4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136976470) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136976470
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCCCS2)nc[nH]1
InChIInChI=1S/C10H15N3OS/c14-10-5-9(12-7-13-10)11-6-8-3-1-2-4-15-8/h5,7-8H,1-4,6H2,(H2,11,12,13,14)
InChIKeyRWKDVWVANIZHCB-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one (CID 136976470) is 4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one is O=c1cc(NCC2CCCCS2)nc[nH]1.
What is the InChIKey of 4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is RWKDVWVANIZHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-10-5-9(12-7-13-10)11-6-8-3-1-2-4-15-8/h5,7-8H,1-4,6H2,(H2,11,12,13,14).
What are the key properties of 4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one?
4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 225.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).