5-propan-2-ylsulfonylpyrimidine-2,4-diamine

C7H12N4O2S — CID 2819789

IUPAC5-propan-2-ylsulfonylpyrimidine-2,4-diamine
SMILESCC(C)S(=O)(=O)c1cnc(N)nc1N
InChIInChI=1S/C7H12N4O2S/c1-4(2)14(12,13)5-3-10-7(9)11-6(5)8/h3-4H,1-2H3,(H4,8,9,10,11)
InChIKeyZFUGYCGYOYWQDM-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.18
Rot. Bonds2

About 5-propan-2-ylsulfonylpyrimidine-2,4-diamine

5-propan-2-ylsulfonylpyrimidine-2,4-diamine (PubChem CID 2819789) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-propan-2-ylsulfonylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-propan-2-ylsulfonylpyrimidine-2,4-diamine
PubChem CID2819789
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name5-propan-2-ylsulfonylpyrimidine-2,4-diamine
SMILESCC(C)S(=O)(=O)c1cnc(N)nc1N
InChIInChI=1S/C7H12N4O2S/c1-4(2)14(12,13)5-3-10-7(9)11-6(5)8/h3-4H,1-2H3,(H4,8,9,10,11)
InChIKeyZFUGYCGYOYWQDM-UHFFFAOYSA-N
XLogP-0.18
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
Pyrimidine-5-sulfonamide
CID 19091293
5-(Isopropylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778668
5-(isopropylsulfonyl)-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-amine
CID 2819755
5-(2-Methylpropane-2-sulfonyl)pyrimidine-2,4-diamine
CID 2778671
2-Chloro-5-methanesulfonylpyrimidine
CID 15653482
2-Aminopyrimidine-5-sulfonyl chloride
CID 15885618
2-Amino-5-pyrimidinesulfonamide
CID 53420996
5-Methanesulfonylpyrimidin-2-amine
CID 57587959

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylsulfonylpyrimidine-2,4-diamine?
The IUPAC name of 5-propan-2-ylsulfonylpyrimidine-2,4-diamine (CID 2819789) is 5-propan-2-ylsulfonylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-propan-2-ylsulfonylpyrimidine-2,4-diamine?
The canonical SMILES for 5-propan-2-ylsulfonylpyrimidine-2,4-diamine is CC(C)S(=O)(=O)c1cnc(N)nc1N.
What is the InChIKey of 5-propan-2-ylsulfonylpyrimidine-2,4-diamine?
The InChIKey is ZFUGYCGYOYWQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-4(2)14(12,13)5-3-10-7(9)11-6(5)8/h3-4H,1-2H3,(H4,8,9,10,11).
What are the key properties of 5-propan-2-ylsulfonylpyrimidine-2,4-diamine?
5-propan-2-ylsulfonylpyrimidine-2,4-diamine has a molecular weight of 216.27 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylsulfonylpyrimidine-2,4-diamine is sourced from PubChem (CID 2819789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).