5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine

C12H20N4O3S — CID 2778665

IUPAC5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc(N2CCOCC2)nc1N
InChIInChI=1S/C12H20N4O3S/c1-12(2,3)20(17,18)9-8-14-11(15-10(9)13)16-4-6-19-7-5-16/h8H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyGDHZZUDBHRLEQY-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.47
Rot. Bonds2

About 5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine

5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 2778665) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID2778665
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc(N2CCOCC2)nc1N
InChIInChI=1S/C12H20N4O3S/c1-12(2,3)20(17,18)9-8-14-11(15-10(9)13)16-4-6-19-7-5-16/h8H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyGDHZZUDBHRLEQY-UHFFFAOYSA-N
XLogP0.47
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(tert-butylsulfonyl)-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-amine
CID 2778663
5-(Tert-butylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778670
5-(Isopropylsulfonyl)-2-morpholinopyrimidin-4-amine
CID 2819754
5-(Tert-butylsulfonyl)-2-methylpyrimidin-4-amine
CID 2778601
5-(Isopropylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778668
5-(2-Methylpropane-2-sulfonyl)pyrimidine-2,4-diamine
CID 2778671
N-(1,1-dioxidotetrahydro-3-thienyl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50958997
N-[(3R)-1,1-dioxothiolan-3-yl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 95124917
N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 95124918
2-amino-N-(2-methoxyethyl)-N-methylpyrimidine-5-sulfonamide
CID 62152411
5-(5-Methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
CID 67297915
4-(2-Chloro-5-(methylthio)pyrimidin-4-yl)morpholine
CID 86673505

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine (CID 2778665) is 5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine is CC(C)(C)S(=O)(=O)c1cnc(N2CCOCC2)nc1N.
What is the InChIKey of 5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is GDHZZUDBHRLEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-12(2,3)20(17,18)9-8-14-11(15-10(9)13)16-4-6-19-7-5-16/h8H,4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine?
5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 300.38 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 2778665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).