5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine

C9H14BrN3O2S — CID 79563037

IUPAC5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
SMILESCC(C)(CNc1ncc(Br)cn1)S(C)(=O)=O
InChIInChI=1S/C9H14BrN3O2S/c1-9(2,16(3,14)15)6-13-8-11-4-7(10)5-12-8/h4-5H,6H2,1-3H3,(H,11,12,13)
InChIKeyQXVNFCBEIDREOO-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.47
Rot. Bonds4

About 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine

5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine (PubChem CID 79563037) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
PubChem CID79563037
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
SMILESCC(C)(CNc1ncc(Br)cn1)S(C)(=O)=O
InChIInChI=1S/C9H14BrN3O2S/c1-9(2,16(3,14)15)6-13-8-11-4-7(10)5-12-8/h4-5H,6H2,1-3H3,(H,11,12,13)
InChIKeyQXVNFCBEIDREOO-UHFFFAOYSA-N
XLogP1.47
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
CID 79563360
5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine
CID 126993043
5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 79558831
N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142919
5-bromo-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-4,6-diamine
CID 114072524
3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine
CID 79562408
5-bromo-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine
CID 71996382
4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
CID 112638194
1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine
CID 79561930
2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide
CID 63872824
2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine
CID 79551498
N-(2-methyl-2-methylsulfonylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770921

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine (CID 79563037) is 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine is CC(C)(CNc1ncc(Br)cn1)S(C)(=O)=O.
What is the InChIKey of 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine?
The InChIKey is QXVNFCBEIDREOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-9(2,16(3,14)15)6-13-8-11-4-7(10)5-12-8/h4-5H,6H2,1-3H3,(H,11,12,13).
What are the key properties of 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine?
5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine has a molecular weight of 308.20 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 79563037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).