5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine

C9H14BrN3O2S — CID 103846782

IUPAC5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine
SMILESCOc1nc(NCC(C)S(C)=O)ncc1Br
InChIInChI=1S/C9H14BrN3O2S/c1-6(16(3)14)4-11-9-12-5-7(10)8(13-9)15-2/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyPFGFVTOYQBNTOK-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.43
Rot. Bonds5

About 5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine (PubChem CID 103846782) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine
PubChem CID103846782
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine
SMILESCOc1nc(NCC(C)S(C)=O)ncc1Br
InChIInChI=1S/C9H14BrN3O2S/c1-6(16(3)14)4-11-9-12-5-7(10)8(13-9)15-2/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyPFGFVTOYQBNTOK-UHFFFAOYSA-N
XLogP1.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine
CID 103746057
1-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 103746013
1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine
CID 106999965
5-bromo-N-(2-chloro-4,4-dimethylpentyl)-4-methoxypyrimidin-2-amine
CID 107156206
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-4-methoxy-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 106997923
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
CID 107269299
N-(2-methylsulfinylpropyl)pyrimidin-2-amine
CID 115764312
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
CID 106998101
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
(2R)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propanoic acid
CID 122049940
5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
CID 103745919

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine (CID 103846782) is 5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine is COc1nc(NCC(C)S(C)=O)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine?
The InChIKey is PFGFVTOYQBNTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-6(16(3)14)4-11-9-12-5-7(10)8(13-9)15-2/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine has a molecular weight of 308.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 103846782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).