5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine

C13H22BrN3 — CID 66300692

IUPAC5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(CCC(C)C)nc(C(C)C)c1Br
InChIInChI=1S/C13H22BrN3/c1-8(2)6-7-10-16-12(9(3)4)11(14)13(15-5)17-10/h8-9H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyWPDIBDVOQSCDRW-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.99
Rot. Bonds5

About 5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300692) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300692
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(CCC(C)C)nc(C(C)C)c1Br
InChIInChI=1S/C13H22BrN3/c1-8(2)6-7-10-16-12(9(3)4)11(14)13(15-5)17-10/h8-9H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyWPDIBDVOQSCDRW-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66301085
5-bromo-2-(tert-butylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300696
5-bromo-6-(methoxymethyl)-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 66298207
5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine
CID 66294519
6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 66298229
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66299705
5-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66301089
5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300310
2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300921
5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66299315
2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine
CID 90724763
5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66301290

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine (CID 66300692) is 5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine is CNc1nc(CCC(C)C)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is WPDIBDVOQSCDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-8(2)6-7-10-16-12(9(3)4)11(14)13(15-5)17-10/h8-9H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 300.24 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).