2-(2-methylpyrimidin-4-yl)-1,3-thiazinane

C9H13N3S — CID 115528343

IUPAC2-(2-methylpyrimidin-4-yl)-1,3-thiazinane
SMILESCc1nccc(C2NCCCS2)n1
InChIInChI=1S/C9H13N3S/c1-7-10-5-3-8(12-7)9-11-4-2-6-13-9/h3,5,9,11H,2,4,6H2,1H3
InChIKeyQKNRSWQRVCHNNE-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.51
Rot. Bonds1

About 2-(2-methylpyrimidin-4-yl)-1,3-thiazinane

2-(2-methylpyrimidin-4-yl)-1,3-thiazinane (PubChem CID 115528343) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-4-yl)-1,3-thiazinane.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)-1,3-thiazinane
PubChem CID115528343
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-(2-methylpyrimidin-4-yl)-1,3-thiazinane
SMILESCc1nccc(C2NCCCS2)n1
InChIInChI=1S/C9H13N3S/c1-7-10-5-3-8(12-7)9-11-4-2-6-13-9/h3,5,9,11H,2,4,6H2,1H3
InChIKeyQKNRSWQRVCHNNE-UHFFFAOYSA-N
XLogP1.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine
CID 115528337
hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride
CID 50986722
2-(5-methyl-2-pyridinyl)-1,3-thiazolidine
CID 81319840
(2R)-2-pyridin-2-yl-1,3-thiazolidine
CID 92855443
4-pyrrolidin-2-ylpyrimidin-2-amine
CID 53408029
N-methyl-4-[(2S)-piperidin-2-yl]pyrimidin-2-amine
CID 95827769
4-(1,3-thiazinan-2-yl)benzonitrile
CID 66218756
N-cyclopentyl-2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
CID 95846278
2-(2-methylpyrimidin-4-yl)morpholine
CID 66509815
N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95836667
5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride
CID 171700358
2-naphthalen-2-yl-1,3-thiazinane
CID 66218515

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-4-yl)-1,3-thiazinane?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)-1,3-thiazinane (CID 115528343) is 2-(2-methylpyrimidin-4-yl)-1,3-thiazinane.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)-1,3-thiazinane?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)-1,3-thiazinane is Cc1nccc(C2NCCCS2)n1.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)-1,3-thiazinane?
The InChIKey is QKNRSWQRVCHNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-7-10-5-3-8(12-7)9-11-4-2-6-13-9/h3,5,9,11H,2,4,6H2,1H3.
What are the key properties of 2-(2-methylpyrimidin-4-yl)-1,3-thiazinane?
2-(2-methylpyrimidin-4-yl)-1,3-thiazinane has a molecular weight of 195.29 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-4-yl)-1,3-thiazinane is sourced from PubChem (CID 115528343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).