1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione

C11H17N3O2S — CID 103062773

IUPAC1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione
SMILESCn1c(CNC2CCSC2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O2S/c1-13-9(5-10(15)14(2)11(13)16)6-12-8-3-4-17-7-8/h5,8,12H,3-4,6-7H2,1-2H3
InChIKeyPGJZALZHFSYQPQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP-0.32
Rot. Bonds3

About 1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione (PubChem CID 103062773) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione
PubChem CID103062773
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione
SMILESCn1c(CNC2CCSC2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O2S/c1-13-9(5-10(15)14(2)11(13)16)6-12-8-3-4-17-7-8/h5,8,12H,3-4,6-7H2,1-2H3
InChIKeyPGJZALZHFSYQPQ-UHFFFAOYSA-N
XLogP-0.32
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione (CID 103062773) is 1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione is Cn1c(CNC2CCSC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is PGJZALZHFSYQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-13-9(5-10(15)14(2)11(13)16)6-12-8-3-4-17-7-8/h5,8,12H,3-4,6-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 255.34 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(thiolan-3-ylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 103062773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).