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

C12H20BrN3O — CID 103745897

IUPAC5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
SMILESCOc1nc(N(C)C(C)CC(C)C)ncc1Br
InChIInChI=1S/C12H20BrN3O/c1-8(2)6-9(3)16(4)12-14-7-10(13)11(15-12)17-5/h7-9H,6H2,1-5H3
InChIKeyRHAZCUMPGWWDOE-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.12
Rot. Bonds5

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

5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine (PubChem CID 103745897) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
PubChem CID103745897
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
SMILESCOc1nc(N(C)C(C)CC(C)C)ncc1Br
InChIInChI=1S/C12H20BrN3O/c1-8(2)6-9(3)16(4)12-14-7-10(13)11(15-12)17-5/h7-9H,6H2,1-5H3
InChIKeyRHAZCUMPGWWDOE-UHFFFAOYSA-N
XLogP3.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 63872878
5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999813
5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine
CID 106998751
1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 103872979
5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 106999735
5-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999859
5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 106999006
5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106998870
2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol
CID 103817617
5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998740
N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998192
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 106999636

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine (CID 103745897) is 5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine is COc1nc(N(C)C(C)CC(C)C)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine?
The InChIKey is RHAZCUMPGWWDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-8(2)6-9(3)16(4)12-14-7-10(13)11(15-12)17-5/h7-9H,6H2,1-5H3.
What are the key properties of 5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine has a molecular weight of 302.22 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 103745897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).