2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine

C15H25N3O3S — CID 133405927

IUPAC2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NCC2(CS(C)(=O)=O)CCOCC2)n1
InChIInChI=1S/C15H25N3O3S/c1-11-12(2)17-13(3)18-14(11)16-9-15(10-22(4,19)20)5-7-21-8-6-15/h5-10H2,1-4H3,(H,16,17,18)
InChIKeyZZMOOFGKHPKCMR-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.66
Rot. Bonds5

About 2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine

2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine (PubChem CID 133405927) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine
PubChem CID133405927
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NCC2(CS(C)(=O)=O)CCOCC2)n1
InChIInChI=1S/C15H25N3O3S/c1-11-12(2)17-13(3)18-14(11)16-9-15(10-22(4,19)20)5-7-21-8-6-15/h5-10H2,1-4H3,(H,16,17,18)
InChIKeyZZMOOFGKHPKCMR-UHFFFAOYSA-N
XLogP1.66
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine (CID 133405927) is 2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine is Cc1nc(C)c(C)c(NCC2(CS(C)(=O)=O)CCOCC2)n1.
What is the InChIKey of 2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is ZZMOOFGKHPKCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-11-12(2)17-13(3)18-14(11)16-9-15(10-22(4,19)20)5-7-21-8-6-15/h5-10H2,1-4H3,(H,16,17,18).
What are the key properties of 2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine?
2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 327.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133405927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).