4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine

C10H16N4O2S — CID 103739613

IUPAC4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCS(=O)(=O)CC2)nc(N)n1
InChIInChI=1S/C10H16N4O2S/c1-8-7-9(13-10(11)12-8)14-3-2-5-17(15,16)6-4-14/h7H,2-6H2,1H3,(H2,11,12,13)
InChIKeyLCNXJKYQNWWZED-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.01
Rot. Bonds1

About 4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine

4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine (PubChem CID 103739613) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine
PubChem CID103739613
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCS(=O)(=O)CC2)nc(N)n1
InChIInChI=1S/C10H16N4O2S/c1-8-7-9(13-10(11)12-8)14-3-2-5-17(15,16)6-4-14/h7H,2-6H2,1H3,(H2,11,12,13)
InChIKeyLCNXJKYQNWWZED-UHFFFAOYSA-N
XLogP-0.01
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine
CID 78928279
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564180
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 13393629
4-methyl-6-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrimidin-2-amine
CID 47419492
4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 78948022
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride
CID 139084866
(4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97191552
4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 90274730
3-amino-6-(1,1-dioxo-1,4-thiazepan-4-yl)pyridine-2-carbonitrile
CID 114083342

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine (CID 103739613) is 4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCCS(=O)(=O)CC2)nc(N)n1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine?
The InChIKey is LCNXJKYQNWWZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-8-7-9(13-10(11)12-8)14-3-2-5-17(15,16)6-4-14/h7H,2-6H2,1H3,(H2,11,12,13).
What are the key properties of 4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine?
4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine has a molecular weight of 256.33 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 103739613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).