4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

C12H18ClN3O2S — CID 80970652

IUPAC4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-8(2)11-14-10(13)9(3)12(15-11)16-4-6-19(17,18)7-5-16/h8H,4-7H2,1-3H3
InChIKeyHFTMHVTXEKTPNC-UHFFFAOYSA-N
MW303.82 g/mol
LogP1.80
Rot. Bonds2

About 4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 80970652) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.82 g/mol. Its IUPAC name is 4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID80970652
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.82 g/mol
Exact Mass303.08
IUPAC Name4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-8(2)11-14-10(13)9(3)12(15-11)16-4-6-19(17,18)7-5-16/h8H,4-7H2,1-3H3
InChIKeyHFTMHVTXEKTPNC-UHFFFAOYSA-N
XLogP1.80
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,6-Dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 71615502
4-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 113875224
4-(6-Chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 13393633
Thiomorpholine, 4-(6-chloro-2-ethyl-4-pyrimidinyl)-, 1,1-dioxide
CID 13520756
2-Isopropyl-4,6-dichloro-5-ethylsulfonylpyrimidine
CID 20481922
4-(6-Chloro-2-ethylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 54204875
4-(6-Chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 80970741
4-[6-Chloro-5-(chloromethyl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 81684603
4-(5,6-Dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine
CID 166128539
5-Chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine
CID 166128684
5-Chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 166128964
4-(5,6-Dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 166129014

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 80970652) is 4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is Cc1c(Cl)nc(C(C)C)nc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is HFTMHVTXEKTPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-8(2)11-14-10(13)9(3)12(15-11)16-4-6-19(17,18)7-5-16/h8H,4-7H2,1-3H3.
What are the key properties of 4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 303.82 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 80970652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).