5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine

C11H18BrN3 — CID 63872878

IUPAC5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
SMILESCC(C)CC(C)N(C)c1ncc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-8(2)5-9(3)15(4)11-13-6-10(12)7-14-11/h6-9H,5H2,1-4H3
InChIKeyQOCONOSHXXVGDH-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.11
Rot. Bonds4

About 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine

5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine (PubChem CID 63872878) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
PubChem CID63872878
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
SMILESCC(C)CC(C)N(C)c1ncc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-8(2)5-9(3)15(4)11-13-6-10(12)7-14-11/h6-9H,5H2,1-4H3
InChIKeyQOCONOSHXXVGDH-UHFFFAOYSA-N
XLogP3.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine
CID 63873576
5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 103745897
5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine
CID 115657240
N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 104606760
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine
CID 115622616
3-bromo-N,5-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105367831
3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114836921
3-[(5-fluoropyrimidin-2-yl)-methylamino]butanenitrile
CID 115750231
2-N-methyl-2-N-pentan-2-ylpyrimidine-2,5-diamine
CID 61145457
N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine
CID 116649589
N'-(5-bromopyrimidin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 63873230
1-(5-bromopyrimidin-2-yl)-1-methylhydrazine
CID 169495089

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine (CID 63872878) is 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine is CC(C)CC(C)N(C)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine?
The InChIKey is QOCONOSHXXVGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8(2)5-9(3)15(4)11-13-6-10(12)7-14-11/h6-9H,5H2,1-4H3.
What are the key properties of 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine?
5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine has a molecular weight of 272.19 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 63872878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).