5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine

C10H16BrN3O — CID 116777031

IUPAC5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine
SMILESCCC(C)(OC)c1ncc(Br)c(NC)n1
InChIInChI=1S/C10H16BrN3O/c1-5-10(2,15-4)9-13-6-7(11)8(12-3)14-9/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyMSIIJQMDWWRUKE-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.55
Rot. Bonds4

About 5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine

5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine (PubChem CID 116777031) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine
PubChem CID116777031
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine
SMILESCCC(C)(OC)c1ncc(Br)c(NC)n1
InChIInChI=1S/C10H16BrN3O/c1-5-10(2,15-4)9-13-6-7(11)8(12-3)14-9/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyMSIIJQMDWWRUKE-UHFFFAOYSA-N
XLogP2.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 116775412
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone
CID 116778429
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116778873
2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775077
4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine
CID 116781889
5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine
CID 66302250
5-bromo-4-N-(3-ethylpentan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80840430
ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate
CID 116782890
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine
CID 116777186
5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
CID 116729801
[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 116777510

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine (CID 116777031) is 5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine is CCC(C)(OC)c1ncc(Br)c(NC)n1.
What is the InChIKey of 5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine?
The InChIKey is MSIIJQMDWWRUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-5-10(2,15-4)9-13-6-7(11)8(12-3)14-9/h6H,5H2,1-4H3,(H,12,13,14).
What are the key properties of 5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine?
5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine has a molecular weight of 274.16 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116777031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).