6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione

C12H20N4O2S — CID 115625293

IUPAC6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC2CCSCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2S/c1-2-16-10(13)9(11(17)15-12(16)18)14-7-8-3-5-19-6-4-8/h8,14H,2-7,13H2,1H3,(H,15,17,18)
InChIKeyKTLQCIGPCQPKKQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.69
Rot. Bonds4

About 6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione (PubChem CID 115625293) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione
PubChem CID115625293
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC2CCSCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2S/c1-2-16-10(13)9(11(17)15-12(16)18)14-7-8-3-5-19-6-4-8/h8,14H,2-7,13H2,1H3,(H,15,17,18)
InChIKeyKTLQCIGPCQPKKQ-UHFFFAOYSA-N
XLogP0.69
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione
CID 103659754
6-amino-1-ethyl-5-[(4-methylmorpholin-2-yl)methylamino]pyrimidine-2,4-dione
CID 78916170
6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 113248927
6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione
CID 60649220
6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione
CID 115571526
6-amino-1-butyl-5-(thian-4-ylamino)pyrimidine-2,4-dione
CID 115599961
6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
CID 115613202
6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione
CID 61019816
6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 103761646
6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
CID 107302596
6-amino-1-ethyl-5-[(4-fluorophenyl)methylamino]pyrimidine-2,4-dione
CID 60649008
3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
CID 106170945

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione (CID 115625293) is 6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione is CCn1c(N)c(NCC2CCSCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione?
The InChIKey is KTLQCIGPCQPKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-16-10(13)9(11(17)15-12(16)18)14-7-8-3-5-19-6-4-8/h8,14H,2-7,13H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione has a molecular weight of 284.38 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 115625293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).