4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine

C14H22N4S — CID 136848160

IUPAC4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine
SMILESCc1nccc(C/N=C2/NC(C(C)(C)C)CCS2)n1
InChIInChI=1S/C14H22N4S/c1-10-15-7-5-11(17-10)9-16-13-18-12(6-8-19-13)14(2,3)4/h5,7,12H,6,8-9H2,1-4H3,(H,16,18)
InChIKeyBASWUJAMVJMDFY-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.78
Rot. Bonds2

About 4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine

4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136848160) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine
PubChem CID136848160
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine
SMILESCc1nccc(C/N=C2/NC(C(C)(C)C)CCS2)n1
InChIInChI=1S/C14H22N4S/c1-10-15-7-5-11(17-10)9-16-13-18-12(6-8-19-13)14(2,3)4/h5,7,12H,6,8-9H2,1-4H3,(H,16,18)
InChIKeyBASWUJAMVJMDFY-UHFFFAOYSA-N
XLogP2.78
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine
CID 137002752
4-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136848612
4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136848036
4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136848611
4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848441
N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993359
4-tert-butyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136993393
4-(cyclopropylmethyl)-2-methylpyrimidine
CID 123281493
4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine
CID 136848377
N-methyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 130636866
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione
CID 64967667

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine (CID 136848160) is 4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine is Cc1nccc(C/N=C2/NC(C(C)(C)C)CCS2)n1.
What is the InChIKey of 4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is BASWUJAMVJMDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-10-15-7-5-11(17-10)9-16-13-18-12(6-8-19-13)14(2,3)4/h5,7,12H,6,8-9H2,1-4H3,(H,16,18).
What are the key properties of 4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine?
4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 278.42 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).