4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine

C8H12N4O2S — CID 80791996

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
SMILESNc1nccc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C8H12N4O2S/c9-8-10-2-1-7(11-8)12-3-5-15(13,14)6-4-12/h1-2H,3-6H2,(H2,9,10,11)
InChIKeyDPTIOXNGXASCLG-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.71
Rot. Bonds1

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine

4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine (PubChem CID 80791996) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
PubChem CID80791996
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
SMILESNc1nccc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C8H12N4O2S/c9-8-10-2-1-7(11-8)12-3-5-15(13,14)6-4-12/h1-2H,3-6H2,(H2,9,10,11)
InChIKeyDPTIOXNGXASCLG-UHFFFAOYSA-N
XLogP-0.71
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(Methylsulfonyl)-1-piperazinyl]pyrimidine
CID 841759
4-(Pyrimidin-2-yl)thiomorpholine
CID 868189
5-(Isopropylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778668
2-Tert-butylsulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile
CID 3734204
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703168
4-(4-(Propylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703312
2-(Piperidin-1-yl)-4-(4-(propylsulfonyl)piperazin-1-yl)pyrimidine
CID 70703711
4-[(4aR*,7aS*)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N-ethyl-N-methylpyrimidin-2-amine
CID 70740748
N-{4-[(4aR*,7aS*)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]pyrimidin-2-yl}-N,N',N'-trimethylpropane-1,3-diamine
CID 70773247
3-[4-(2-Tert-butylpyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 71983541
N-[2-(isobutylsulfonyl)ethyl]pyrimidin-2-amine
CID 72909170
2-Methyl-5-(propylsulfonyl)pyrimidin-4-amine
CID 2778662

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine (CID 80791996) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine is Nc1nccc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
The InChIKey is DPTIOXNGXASCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c9-8-10-2-1-7(11-8)12-3-5-15(13,14)6-4-12/h1-2H,3-6H2,(H2,9,10,11).
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
4-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-2-amine has a molecular weight of 228.28 g/mol, XLogP of -0.71, 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-thiazinan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 80791996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).