2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine

C11H18N4O3S — CID 2819754

IUPAC2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1cnc(N2CCOCC2)nc1N
InChIInChI=1S/C11H18N4O3S/c1-8(2)19(16,17)9-7-13-11(14-10(9)12)15-3-5-18-6-4-15/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyNHYVDNBWXVAJRN-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.08
Rot. Bonds3

About 2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine

2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine (PubChem CID 2819754) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine
PubChem CID2819754
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1cnc(N2CCOCC2)nc1N
InChIInChI=1S/C11H18N4O3S/c1-8(2)19(16,17)9-7-13-11(14-10(9)12)15-3-5-18-6-4-15/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyNHYVDNBWXVAJRN-UHFFFAOYSA-N
XLogP0.08
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(Tert-butylsulfonyl)-2-morpholinopyrimidin-4-amine
CID 2778665
5-(Tert-butylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778670
5-(Isopropylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778668
5-(isopropylsulfonyl)-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-amine
CID 2819755
2-Methyl-5-(propylsulfonyl)pyrimidin-4-amine
CID 2778662
5-Propan-2-ylsulfonylpyrimidine-2,4-diamine
CID 2819789
N-(1,1-dioxidotetrahydro-3-thienyl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50958997
5-(Ethylsulfonyl)pyrimidin-4-amine
CID 66268601
2-methyl-5-(methylsulfonyl)-N-(tetrahydro-2H-pyran-4-yl)pyrimidin-4-amine
CID 72935066
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine
CID 80792827
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

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine (CID 2819754) is 2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine is CC(C)S(=O)(=O)c1cnc(N2CCOCC2)nc1N.
What is the InChIKey of 2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine?
The InChIKey is NHYVDNBWXVAJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8(2)19(16,17)9-7-13-11(14-10(9)12)15-3-5-18-6-4-15/h7-8H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine?
2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine has a molecular weight of 286.36 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-propan-2-ylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 2819754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).